Summary

IMPPAT Phytochemical identifier: IMPHY015219

Phytochemical name: 2,3-Dimethyl-2-butanol

Synonymous chemical names:
2,3-dimethylbutan-2-ol, butan-2-ol,2,3-dimethyl

External chemical identifiers:
CID:11670, ZINC:ZINC000001640826, FDASRS:ZWE5U7S6W9, SureChEMBL:SCHEMBL22975

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Chemical structure information

SMILES:
CC(C(O)(C)C)C

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

InChIKey:
IKECULIHBUCAKR-UHFFFAOYSA-N

DeepSMILES:
CCCO)C)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, Terpenoids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.87

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Chemical structure download