IMPPAT Phytochemical information: 
4-Methyl-3-heptanol

4-Methyl-3-heptanol
Summary

IMPPAT Phytochemical identifier: IMPHY017247

Phytochemical name: 4-Methyl-3-heptanol

Synonymous chemical names:
4-methyl-3-heptanol

External chemical identifiers:
CID:26989, ChEMBL:CHEMBL3184526, FDASRS:L4RU749510, SureChEMBL:SCHEMBL276456, MolPort-003-958-753
Chemical structure information

SMILES:
CCCC(C(CC)O)C

InChI:
InChI=1S/C8H18O/c1-4-6-7(3)8(9)5-2/h7-9H,4-6H2,1-3H3

InChIKey:
BKQICAFAUMRYLZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC))O))C

Functional groups:
CO
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: 1.31


Chemical structure download