Summary

IMPPAT Phytochemical identifier: IMPHY013840

Phytochemical name: 2-Methyl-3-heptanol

Synonymous chemical names:
2-methylheptan-3-ol

External chemical identifiers:
CID:86781, SureChEMBL:SCHEMBL109083

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Chemical structure information

SMILES:
CCCCC(C(C)C)O

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

InChIKey:
QGVFLDUEHSIZIG-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: 1.612

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Chemical structure download