Summary

IMPPAT Phytochemical identifier: IMPHY016309

Phytochemical name: 2,4-Dimethyl-2,4-heptadiene

Synonymous chemical names:
2,4-dimethyl-2,4-heptadiene

External chemical identifiers:
CID:572949

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Chemical structure information

SMILES:
CCC=C(C=C(C)C)C

InChI:
InChI=1S/C9H16/c1-5-6-9(4)7-8(2)3/h6-7H,5H2,1-4H3

InChIKey:
FFLHUMMPCUSQSJ-UHFFFAOYSA-N

DeepSMILES:
CCC=CC=CC)C)))C

Functional groups:
CC=C(C)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

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.611

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