Summary

IMPPAT Phytochemical identifier: IMPHY002133

Phytochemical name: 2-Hexanol

Synonymous chemical names:
2-hexanol, hexan-2-ol, hexane-2-ol

External chemical identifiers:
CID:12297, ChEMBL:CHEMBL45425, ChEBI:88370, FDASRS:9CDT0V6T4P, SureChEMBL:SCHEMBL15074, MolPort-001-759-238

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Chemical structure information

SMILES:
CCCCC(O)C

InChI:
InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3

InChIKey:
QNVRIHYSUZMSGM-UHFFFAOYSA-N

DeepSMILES:
CCCCCO)C

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.391

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Chemical structure download