Summary

IMPPAT Phytochemical identifier: IMPHY016646

Phytochemical name: Ethyl 3-hydroxyoctanoate

Synonymous chemical names:
ethyl 3-hydroxyoctanoate

External chemical identifiers:
CID:110975, FDASRS:6RC31Z1JXT, SureChEMBL:SCHEMBL1242948, MolPort-006-118-689

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Chemical structure information

SMILES:
CCCCCC(CC(=O)OCC)O

InChI:
InChI=1S/C10H20O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h9,11H,3-8H2,1-2H3

InChIKey:
VGWUJHSTGYCXQQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=O)OCC)))))O

Functional groups:
CO, COC(C)=O

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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

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.979

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Chemical structure download