Summary

IMPPAT Phytochemical identifier: IMPHY013772

Phytochemical name: 2-Methylpentan-2-ol

Synonymous chemical names:
2-methyl pentan-2-ol, 2-methyl-2- pentanol

External chemical identifiers:
CID:11543, ChEMBL:CHEMBL450417, ZINC:ZINC000001648167, FDASRS:HU2SO831KP, SureChEMBL:SCHEMBL12496, MolPort-001-783-732

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Chemical structure information

SMILES:
CCCC(O)(C)C

InChI:
InChI=1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3

InChIKey:
WFRBDWRZVBPBDO-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: 1.157

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Chemical structure download