Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006140

Phytochemical name: Pentane

Synonymous chemical names:
pentane, pentane fraction, n-pentane

External chemical identifiers:
CID:CID_8003, ChEMBL:CHEMBL16102, ChEBI:CHEBI:37830, ZINC:ZINC000001698513, FDASRS:4FEX897A91, SureChEMBL:SCHEMBL1234, MolPort-001-780-001

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Chemical structure information

SMILES:
CCCCC

InChI:
InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3

InChIKey:
OFBQJSOFQDEBGM-UHFFFAOYSA-N

DeepSMILES:
CCCCC

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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: 0.097

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Chemical structure download