Summary

IMPPAT Phytochemical identifier: IMPHY015348

Phytochemical name: 3-Methyl-2-butanol

Synonymous chemical names:
3-methyl-2-butanol, 3-methylbutan-2-ol

External chemical identifiers:
CID:11732, ChEMBL:CHEMBL443470, ChEBI:77517, FDASRS:93FF0F303R, SureChEMBL:SCHEMBL23875, MolPort-001-759-244

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Chemical structure information

SMILES:
CC(C(C)C)O

InChI:
InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3

InChIKey:
MXLMTQWGSQIYOW-UHFFFAOYSA-N

DeepSMILES:
CCCC)C))O

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: 0.644

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Chemical structure download