Summary

IMPPAT Phytochemical identifier: IMPHY015435

Phytochemical name: 6-Methylheptan-3-ol

Synonymous chemical names:
6-methyc3-heptanol, 6-methyl-3-heptanol, 6-methylheptan-3-01, 6-methyli3-heptanol

External chemical identifiers:
CID:86783, SureChEMBL:SCHEMBL108677, MolPort-006-122-707

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Chemical structure information

SMILES:
CCC(CCC(C)C)O

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

InChIKey:
MNBIBGDICHMQFN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC)C))))O

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: 1.291

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Chemical structure download