Summary

IMPPAT Phytochemical identifier: IMPHY016299

Phytochemical name: (E)-1,3-Pentadiene, 2,3-dimethyl-

Synonymous chemical names:
2,3-dimethyl-1,3-pentadiene

External chemical identifiers:
CID:5367615, ZINC:ZINC000002528317, SureChEMBL:SCHEMBL316428

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Chemical structure information

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

InChI:
InChI=1S/C7H12/c1-5-7(4)6(2)3/h5H,2H2,1,3-4H3/b7-5+

InChIKey:
PCCCQOGUVCNYOI-FNORWQNLSA-N

DeepSMILES:
C/C=C/C=C)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: 2.077

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Chemical structure download