Summary

IMPPAT Phytochemical identifier: IMPHY017581

Phytochemical name: 2-Methyl-1,3-pentadiene

Synonymous chemical names:
2-methylpenta-1,3-diene

External chemical identifiers:
CID:638070, ZINC:ZINC000001713179, SureChEMBL:SCHEMBL136114

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Chemical structure information

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

InChI:
InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4+

InChIKey:
RCJMVGJKROQDCB-SNAWJCMRSA-N

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

Functional groups:
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: 2.253

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Chemical structure download