Summary

IMPPAT Phytochemical identifier: IMPHY016426

Phytochemical name: 4-Methyl-1-pentene

Synonymous chemical names:
4-methyl-1-pentene

External chemical identifiers:
CID:12724, ZINC:ZINC000001706701, FDASRS:X10HRJ2Y7W, SureChEMBL:SCHEMBL21208

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Chemical structure information

SMILES:
C=CCC(C)C

InChI:
InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3

InChIKey:
WSSSPWUEQFSQQG-UHFFFAOYSA-N

DeepSMILES:
C=CCCC)C

Functional groups:
C=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Unsaturated aliphatic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.09

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Chemical structure download