Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011989

Phytochemical name: 2,4,6-Octatriene, 3,4-dimethyl-

Synonymous chemical names:
3,4-dimethyl-2,4,6-octatriene, 2,4,6-octatriene 3,4-dimethyl

External chemical identifiers:
CID:CID_5371124

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Chemical structure information

SMILES:
C/C=C/C=C(/C(=C/C)/C)\C

InChI:
InChI=1S/C10H16/c1-5-7-8-10(4)9(3)6-2/h5-8H,1-4H3/b7-5+,9-6+,10-8+

InChIKey:
WGAUMWNVHAMGJF-AGPUZOHGSA-N

DeepSMILES:
C/C=C/C=C/C=C/C))/C))\C

Functional groups:
C/C=C/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: 1.922

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Chemical structure download