Summary

IMPPAT Phytochemical identifier: IMPHY017745

Phytochemical name: 2-Methylpentane

Synonymous chemical names:
2-methyl pentane, 2-methylpentane

External chemical identifiers:
CID:7892, ChEMBL:CHEMBL30909, ChEBI:88374, ZINC:ZINC000001693924, FDASRS:49IB0U6MLD, SureChEMBL:SCHEMBL4635, MolPort-003-932-989

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Chemical structure information

SMILES:
CCCC(C)C

InChI:
InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3

InChIKey:
AFABGHUZZDYHJO-UHFFFAOYSA-N

DeepSMILES:
CCCCC)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.296

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Chemical structure download