1,3-Pentadiene, (3Z)-

PubChem CID: 643785

Connections displayed (default: 10).

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Compound Synonyms	cis-1,3-Pentadiene, 1574-41-0, 1,3-Pentadiene, (3Z)-, cis-Piperylene, (3Z)-penta-1,3-diene, 1,3-Pentadiene, (Z)-, (Z)-1,3-Pentadiene, (Z)-Penta-1,3-diene, cis-1-Methylbutadiene, CCRIS 8965, (3Z)-1,3-Pentadiene, EINECS 216-401-0, PT6373J6YO, (Z)-PIPERYLENE, PIPERYLENE, CIS-, CIS-1-METHYL-1,3-BUTADIENE, 1,3-PENTADIENE (3Z)-FORM [MI], CIS-1,3-PENTADIENE (STABILIZED WITH TBC), UNII-PT6373J6YO, cisPiperylene, (Z)Penta1,3diene, 1,cis-3-Pentadiene, Pentadiene-1,3, cis-, 1,3Pentadiene, (3Z), (3Z)-1,3-Pentadiene #, cis-1,3-Pentadiene, 98%, (Z)-CH2=CHCH=CHCH3, DTXSID60858741, 1,3-PENTADIENE (3Z)-FORM, MFCD00063977, cis-1,3-Pentadiene, analytical standard, NS00082913, P0650, T71862, Q27286734
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/C=CC=C
Heavy Atom Count	5.0
Classyfire Class	Unsaturated hydrocarbons
Classyfire Subclass	Olefins
Isotope Atom Count	0.0
Molecular Complexity	42.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	(3Z)-penta-1,3-diene
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Hydrocarbons
Xlogp	2.4
Gsk 4 400 Rule	True
Molecular Formula	C5H8
Prediction Swissadme	0.0
Inchi Key	PMJHHCWVYXUKFD-PLNGDYQASA-N
Silicos It Class	Soluble
Fcsp3	0.2
Logs	-4.394
Rotatable Bond Count	1.0
Logd	4.31
Synonyms	1,3-pentadiene
Esol Class	Very soluble
Functional Groups	C=C/C=CC
Compound Name	1,3-Pentadiene, (3Z)-
Prediction Hob Swissadme	0.0
Exact Mass	68.0626
Formal Charge	0.0
Monoisotopic Mass	68.0626
Hydrogen Bond Acceptor Count	0.0
Molecular Weight	68.12
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	-1.7083378
Inchi	InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-
Smiles	C/C=C\C=C
Nring	3.0
Np Classifier Biosynthetic Pathway	Fatty acids
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Np Classifier Superclass	Fatty acyls

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44. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
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55. Outgoing r'ship FOUND_IN to/from Schisandra Arisanensis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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81. Outgoing r'ship FOUND_IN to/from Thermopsis Chinensis (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Trollius Chinensis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Tsuga Chinensis (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Tupistra Chinensis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Wedelia Chinensis (Plant) Rel Props:Reference:

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1,3-Pentadiene, (3Z)-

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Phytochemical Properties

Associated Connections 85

Plant Connections 85