Summary

IMPPAT Phytochemical identifier: IMPHY017202

Phytochemical name: (S)-3,4-Dimethylpentanol

Synonymous chemical names:
(s)-3,4-dimethylpentanol

External chemical identifiers:
CID:21118715, ZINC:ZINC000002578840, SureChEMBL:SCHEMBL8064079

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Chemical structure information

SMILES:
OCC[C@@H](C(C)C)C

InChI:
InChI=1S/C7H16O/c1-6(2)7(3)4-5-8/h6-8H,4-5H2,1-3H3/t7-/m0/s1

InChIKey:
SVJNECJVNWTYQG-ZETCQYMHSA-N

DeepSMILES:
OCC[C@@H]CC)C))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: 1.28

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Chemical structure download