Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018025

Phytochemical name: 2,4-Dimethyl-1-heptene

Synonymous chemical names:
2,4-Dimethyl-1-heptene

External chemical identifiers:
CID:CID_123385, ChEBI:CHEBI:141563, Molport-028-747-674

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Chemical structure information

SMILES:
CCCC(CC(=C)C)C

InChI:
InChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H3

InChIKey:
CZGAOHSMVSIJJZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=C)C)))C

Functional groups:
C=C(C)C

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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: Fatty acyls, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Hydrocarbons

NP-Likeness score: 1.065

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Chemical structure download