2,5-Octanedione

PubChem CID: 6420399

Connections displayed (default: 10).

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Compound Synonyms	2,5-Octanedione, 3214-41-3, octane-2,5-dione, SCHEMBL4084926, SCHEMBL4084931, DTXSID101019346, AKOS006272909, BS-18935, CS-0368306, E77590
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Np Classifier Class	Oxygenated hydrocarbons
Deep Smiles	CCCC=O)CCC=O)C
Heavy Atom Count	10.0
Classyfire Class	Organooxygen compounds
Classyfire Subclass	Carbonyl compounds
Isotope Atom Count	0.0
Molecular Complexity	127.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	octane-2,5-dione
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organic oxygen compounds
Xlogp	0.4
Gsk 4 400 Rule	True
Molecular Formula	C8H14O2
Prediction Swissadme	0.0
Inchi Key	SPDFSSLYVRCMDZ-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.75
Logs	-0.424
Rotatable Bond Count	5.0
Logd	-0.747
Synonyms	2,5-octanedione
Esol Class	Very soluble
Functional Groups	CC(C)=O
Compound Name	2,5-Octanedione
Prediction Hob Swissadme	0.0
Exact Mass	142.099
Formal Charge	0.0
Monoisotopic Mass	142.099
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	142.2
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-0.6184275999999997
Inchi	InChI=1S/C8H14O2/c1-3-4-8(10)6-5-7(2)9/h3-6H2,1-2H3
Smiles	CCCC(=O)CCC(=O)C
Nring	0.0
Np Classifier Biosynthetic Pathway	Fatty acids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Fatty acyls

1. Outgoing r'ship FOUND_IN to/from Abelia Chinensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Actinidia Chinensis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aesculus Chinensis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Albizia Chinensis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Albizzia Chinensis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Aloe Vera (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Alpinia Chinensis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Ampelocissus Barbata (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Anthocephalus Chinensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Aralia Chinensis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Artemisia Chinensis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Arundina Chinensis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Astilbe Chinensis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Atractylodes Chinensis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Aucuba Chinensis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Belamcanda Chinensis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Blumea Chinensis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Boerhaavia Diffusa (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Boerhavia Chinensis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Boerhavia Diffusa (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Borerhavia Diffusa (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Breonia Chinensis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Bulbostylis Barbata (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3385
25. Outgoing r'ship FOUND_IN to/from Canscora Diffusa (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Chloris Barbata (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Clematis Chinensis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Coptis Chinensis (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Crotalaria Barbata (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Cryptocarya Chinensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Cuscuta Chinensis (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Cyclea Barbata (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Desmos Chinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Dianthus Chinensis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Dicliptera Chinensis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Eremurus Chinensis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Ericameria Diffusa (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Fraxinus Chinensis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Gliricidia Sepium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1008231
40. Outgoing r'ship FOUND_IN to/from Hedyotis Diffusa (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Hydrangea Chinensis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Impatiens Chinensis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Incarvillea Diffusa (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Inula Britannica (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Iris Lactea (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Ixeris Chinensis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Ixora Chinensis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Justicia Diffusa (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Klaseopsis Chinensis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Lappula Barbata (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Listea Chinensis (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Litchi Chinensis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Lobelia Alsinoides (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Lobelia Cardinalis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Lobelia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
57. Outgoing r'ship FOUND_IN to/from Lobelia Hassleri (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Lobelia Inflata (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Lobelia Langeana (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Lobelia Leschenaultiana (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Lobelia Nicotianaefolia (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Lobelia Nicotianifolia (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Lobelia Nicotinaefolia (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Lobelia Pyramidalis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Lobelia Sinoides (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Lobelia St (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Lobelia Syphilitica (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Lophozia Barbata (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Matsumurella Chinensis (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Monomeria Barbata (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Odontosoria Chinensis (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Oldenlandia Affinis (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Oldenlandia Auricularia (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Oldenlandia Biflora (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Oldenlandia Corymbosa (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Oldenlandia Diffusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
78. Outgoing r'ship FOUND_IN to/from Oldenlandia Herbacea (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Oldenlandia Umbellata (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Oldenlandia Verticillata (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Osbeckia Chinensis (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Paederia Chinensis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Persicaria Chinensis (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Pistacia Chinensis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Polygala Chinensis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Polyscias Scutellaria (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Potentilla Chinensis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Pothos Chinensis (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Pulsatilla Chinensis (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Rhus Chinensis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Rosa Chinensis (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Salacia Chinensis (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Saururus Chinensis (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Scolopia Chinensis (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Scutellaria Albida (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Scutellaria Altissima (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Scutellaria Amoena (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Scutellaria Baicalensis (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Scutellaria Balcalensis (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
102. Outgoing r'ship FOUND_IN to/from Scutellaria Discolor (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Scutellaria Epilobifolia (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Scutellaria Galericulata (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Scutellaria Glabra (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Scutellaria Hypericifolia (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Scutellaria Indica (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Scutellaria Lateriflora (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Scutellaria Likiangensis (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Scutellaria Orientalis (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Scutellaria Prostata (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Scutellaria Przewalskii (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Scutellaria Rehderiana (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Scutellaria Scandens (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Scutellaria Seleriana (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Scutellaria Sieberi (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Scutellaria Viscidula (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Senecio Chinensis (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Simmondsia Chinensis (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Siphonostegia Chinensis (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Solidago Chinensis (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Sphenomeris Chinensis (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Stachys Chinensis (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Stauntonia Chinensis (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Symplocos Chinensis (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Tamarix Chinensis (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Taxillus Chinensis (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Taxus Chinensis (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Thermopsis Barbata (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Thermopsis Chinensis (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Trollius Chinensis (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Tsuga Chinensis (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Tupistra Chinensis (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Turnera Diffusa (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Viola Diffusa (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Wedelia Chinensis (Plant) Rel Props:Reference:

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2,5-Octanedione

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Phytochemical Properties

Associated Connections 137

Plant Connections 137