Summary

IMPPAT Phytochemical identifier: IMPHY017707

Phytochemical name: 3-Methylpentane

Synonymous chemical names:
3-methyl pentane

External chemical identifiers:
CID:7282, ChEMBL:CHEMBL357767, ChEBI:88373, ZINC:ZINC000001693925, FDASRS:XD8O3ML76T, SureChEMBL:SCHEMBL7654, MolPort-003-932-992

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Chemical structure information

SMILES:
CCC(CC)C

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

InChIKey:
PFEOZHBOMNWTJB-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: 0.371

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Chemical structure download