Summary

IMPPAT Phytochemical identifier: IMPHY002862

Phytochemical name: 2-Ethyl-2-hydroxyhex-5-enol

Synonymous chemical names:
(2r)-2-ethyl-2-hydroxyhex-5-enol, (2s)-2-ethyl-2-hydroxyhex-5-enol

External chemical identifiers:
CID:14478664, SureChEMBL:SCHEMBL10391909

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Chemical structure information

SMILES:
C=CCCC(CO)(CC)O

InChI:
InChI=1S/C8H16O2/c1-3-5-6-8(10,4-2)7-9/h3,9-10H,1,4-7H2,2H3

InChIKey:
QCXGAQKMYYMESV-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCO))CC))O

Functional groups:
C=CC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Fatty acyls, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Fatty alcohols

NP-Likeness score: 1.034

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Chemical structure download