1,3,7-Octatriene

PubChem CID: 5365557

Connections displayed (default: 10).

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Compound Synonyms	1,3,7-Octatriene, (3E)-1,3,7-Octatriene #, (3E)-octa-1,3,7-triene, 1,3,7-Octatriene, E, (E)-octa-1,3,7-triene, AKOS006274416
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	0.0
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Deep Smiles	C=CCC/C=C/C=C
Heavy Atom Count	8.0
Classyfire Class	Unsaturated hydrocarbons
Classyfire Subclass	Olefins
Isotope Atom Count	0.0
Molecular Complexity	88.2
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	(3E)-octa-1,3,7-triene
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Hydrocarbons
Xlogp	3.1
Gsk 4 400 Rule	True
Molecular Formula	C8H12
Prediction Swissadme	0.0
Inchi Key	ZTJHDEXGCKAXRZ-FNORWQNLSA-N
Silicos It Class	Soluble
Fcsp3	0.25
Logs	-2.141
Rotatable Bond Count	4.0
Logd	2.297
Synonyms	1,3,7-octatriene
Esol Class	Soluble
Functional Groups	C=C/C=C/C, C=CC
Compound Name	1,3,7-Octatriene
Prediction Hob Swissadme	0.0
Exact Mass	108.094
Formal Charge	0.0
Monoisotopic Mass	108.094
Hydrogen Bond Acceptor Count	0.0
Molecular Weight	108.18
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	True
Esol	-2.1871408
Inchi	InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-5,7H,1-2,6,8H2/b7-5+
Smiles	C=CCC/C=C/C=C
Nring	0.0
Np Classifier Biosynthetic Pathway	Fatty acids
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Np Classifier Superclass	Fatty acyls

1. Outgoing r'ship FOUND_IN to/from Chrysanthemum Boreale (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Chrysanthemum Coronarium (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Chrysanthemum Griffithii (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Chrysanthemum Indicum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Chrysanthemum Lavandulifolium (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Chrysanthemum Leptophyllum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all
8. Outgoing r'ship FOUND_IN to/from Chrysanthemum Myconis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Chrysanthemum Pyrethroides (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Chrysanthemum Sinense (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Chrysanthemum Tibeticum (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Chrysanthemum Uliginosum (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Chrysanthemum X (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Chrysanthemum Zawadskii (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Cryptomeria Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699267
16. Outgoing r'ship FOUND_IN to/from Jasminum Chrysanthemum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Zanthoxylum Acanthopodium (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Zanthoxylum Acutifolium (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ailanthoides (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Zanthoxylum Americanum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Zanthoxylum Arnottianum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Zanthoxylum Avicennae (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Zanthoxylum Belizense (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Zanthoxylum Brachyacanthum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Zanthoxylum Budrunga (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
28. Outgoing r'ship FOUND_IN to/from Zanthoxylum Chiloperone (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Zanthoxylum Chiriquinum (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Zanthoxylum Cuspidatum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Zanthoxylum Decaryi (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Zanthoxylum Dipetalum (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Zanthoxylum Dissitum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Zanthoxylum Echinocarpum (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Zanthoxylum Elephantiasis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fagara (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Zanthoxylum Flavum (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fraxineum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Zanthoxylum Hamiltonianum (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Zanthoxylum Hostile (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Zanthoxylum Integrifoliolum (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Zanthoxylum Limonella (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Zanthoxylum Monophyllum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Zanthoxylum Myriacanthum (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Zanthoxylum Nitidum (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ocumarense (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ovalifolium (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Zanthoxylum Oxphyllum (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Zanthoxylum Oxyphyllum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all
51. Outgoing r'ship FOUND_IN to/from Zanthoxylum Planispinum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Zanthoxylum Podocarpum (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rubescens (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
56. Outgoing r'ship FOUND_IN to/from Zanthoxylum Simulans (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Zanthoxylum Spinosum (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Zanthoxylum Syncarpum (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tetraspermum (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Zanthoxylum Triphyllum (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tsihanimposa (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Zanthoxylum Veneficium (Plant) Rel Props:Reference:

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1,3,7-Octatriene

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Phytochemical Properties

Associated Connections 62

Plant Connections 62