Summary

IMPPAT Phytochemical identifier: IMPHY016250

Phytochemical name: 2-Methyl-1-pentene

Synonymous chemical names:
2-methyl-1-pentene

External chemical identifiers:
CID:12986, ChEBI:141562, ZINC:ZINC000001699370, FDASRS:OKC25O38MC, SureChEMBL:SCHEMBL20819, MolPort-003-929-354

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Chemical structure information

SMILES:
CCCC(=C)C

InChI:
InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3

InChIKey:
WWUVJRULCWHUSA-UHFFFAOYSA-N

DeepSMILES:
CCCC=C)C

Functional groups:
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, Terpenoids

NP Classifier Superclass: Fatty acyls, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Hydrocarbons

NP-Likeness score: 0.781

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Chemical structure download