Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018007

Phytochemical name: 2-Methyl-3-hexanol

Synonymous chemical names:
2-Methyl-3-hexanol

External chemical identifiers:
CID:CID_12040, FDASRS:03F9K11C7W, SureChEMBL:SCHEMBL107758, Molport-001-793-695

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Chemical structure information

SMILES:
CCCC(C(C)C)O

InChI:
InChI=1S/C7H16O/c1-4-5-7(8)6(2)3/h6-8H,4-5H2,1-3H3

InChIKey:
RGRUUTLDBCWYBL-UHFFFAOYSA-N

DeepSMILES:
CCCCCC)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: 1.625

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Chemical structure download