Summary

IMPPAT Phytochemical identifier: IMPHY015357

Phytochemical name: 3-Methyl-3-pentanol

Synonymous chemical names:
3-methyl pentan-3-ol

External chemical identifiers:
CID:6493, ChEMBL:CHEMBL506184, ZINC:ZINC000001701824, FDASRS:SR4551FEKB, SureChEMBL:SCHEMBL23931, MolPort-001-782-783

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Chemical structure information

SMILES:
CCC(CC)(O)C

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

InChIKey:
FRDAATYAJDYRNW-UHFFFAOYSA-N

DeepSMILES:
CCCCC))O)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: 0.471

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Chemical structure download