Summary

IMPPAT Phytochemical identifier: IMPHY006314

Phytochemical name: Ethyl 3-hydroxyhexanoate

Synonymous chemical names:
3-hydroxy-ethyl-hexanoate, ethyl 3-hydroxy-hexanoate, ethyl 3-hydroxyhexanoate, ethyl3-hydroxy hexanoate

External chemical identifiers:
CID:61293, ChEBI:23997, FDASRS:2M3L6B34FF, SureChEMBL:SCHEMBL873010, MolPort-003-960-011

---

Chemical structure information

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

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

InChIKey:
LYRIITRHDCNUHV-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=O)OCC)))))O

Functional groups:
CO, COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Hydroxy acids and derivatives

ClassyFire Subclass: Beta hydroxy acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.943

---

Chemical structure download