Summary

IMPPAT Phytochemical identifier: IMPHY016365

Phytochemical name: 2,3-Dimethyl-3-hexanol

Synonymous chemical names:
3-hexanol 2,3-dimethyl-

External chemical identifiers:
CID:107235, SureChEMBL:SCHEMBL3114618

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Chemical structure information

SMILES:
CCCC(C(C)C)(O)C

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

InChIKey:
CGWJMIUMPDDHQC-UHFFFAOYSA-N

DeepSMILES:
CCCCCC)C))O)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: 0.794

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Chemical structure download