Summary

IMPPAT Phytochemical identifier: IMPHY016310

Phytochemical name: 2,4-Dimethyl-3-pentanol

Synonymous chemical names:
2,4-dimethyl-3-pentanol

External chemical identifiers:
CID:11752, ChEMBL:CHEMBL2260956, ZINC:ZINC000001648183, FDASRS:N54K81P01F, SureChEMBL:SCHEMBL21031, MolPort-001-793-382

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Chemical structure information

SMILES:
OC(C(C)C)C(C)C

InChI:
InChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3

InChIKey:
BAYAKMPRFGNNFW-UHFFFAOYSA-N

DeepSMILES:
OCCC)C))CC)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: 0.744

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Chemical structure download