Summary

IMPPAT Phytochemical identifier: IMPHY006421

Phytochemical name: 2,4-Heptadiene, 2,6-dimethyl-

Synonymous chemical names:
2,6-dimethyl-2,4-heptadiene

External chemical identifiers:
CID:5370124, ZINC:ZINC000078954733, SureChEMBL:SCHEMBL4981346

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Chemical structure information

SMILES:
CC(/C=C/C=C(C)C)C

InChI:
InChI=1S/C9H16/c1-8(2)6-5-7-9(3)4/h5-8H,1-4H3/b6-5+

InChIKey:
HQTKNGJJNNTBLG-AATRIKPKSA-N

DeepSMILES:
CC/C=C/C=CC)C)))))C

Functional groups:
C/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: 2.503

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Chemical structure download