Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005667

Phytochemical name: Ethyl 2-hydroxyhexanoate

Synonymous chemical names:
ethyl 2-hydroxyhexanoate, ethyl 2-hydroxy hexanoate

External chemical identifiers:
CID:CID_103589, SureChEMBL:SCHEMBL309000, MolPort-001-792-066

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Chemical structure information

SMILES:
CCCCC(C(=O)OCC)O

InChI:
InChI=1S/C8H16O3/c1-3-5-6-7(9)8(10)11-4-2/h7,9H,3-6H2,1-2H3

InChIKey:
MRYSSTRVUMCKKB-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.904

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Chemical structure download