Summary

IMPPAT Phytochemical identifier: IMPHY017199

Phytochemical name: 1,3-Pentadiene, 3-methyl-

Synonymous chemical names:
3-methylpenta-1,3-diene

External chemical identifiers:
CID:20682

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Chemical structure information

SMILES:
CC=C(C=C)C

InChI:
InChI=1S/C6H10/c1-4-6(3)5-2/h4-5H,1H2,2-3H3

InChIKey:
BOGRNZQRTNVZCZ-UHFFFAOYSA-N

DeepSMILES:
CC=CC=C))C

Functional groups:
C=CC(C)=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.547

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Chemical structure download