Summary

IMPPAT Phytochemical identifier: IMPHY011002

Phytochemical name: 3-Methyl-2-pentanol

Synonymous chemical names:
3-methyl-2-pentanol, 3-methyllpentan-2-ol

External chemical identifiers:
CID:11261, ChEBI:77520, SureChEMBL:SCHEMBL26336, MolPort-003-925-904

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Chemical structure information

SMILES:
CCC(C(O)C)C

InChI:
InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3

InChIKey:
ZXNBBWHRUSXUFZ-UHFFFAOYSA-N

DeepSMILES:
CCCCO)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: 0.945

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Chemical structure download