Summary

IMPPAT Phytochemical identifier: IMPHY015380

Phytochemical name: 4-Methyl-2-pentanol

Synonymous chemical names:
4-methyl-2-pentanol

External chemical identifiers:
CID:7910, ChEMBL:CHEMBL448896, FDASRS:8U34XJK0R0, SureChEMBL:SCHEMBL15658, MolPort-001-793-693

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Chemical structure information

SMILES:
CC(CC(O)C)C

InChI:
InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3

InChIKey:
WVYWICLMDOOCFB-UHFFFAOYSA-N

DeepSMILES:
CCCCO)C)))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: 0.998

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Chemical structure download