Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002960

Phytochemical name: Ethyl dodecanoate

Synonymous chemical names:
ethyl laulate, ethyl laurate, Ethyl dodecanoate, ethyl dodecanoate, ethyl dodecanote

External chemical identifiers:
CID:CID_7800, ChEMBL:CHEMBL3187842, ChEBI:CHEBI:87427, ZINC:ZINC000001648325, FDASRS:F389D4MD5K, SureChEMBL:SCHEMBL8538, MolPort-003-919-868

---

Chemical structure information

SMILES:
CCCCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3

InChIKey:
MMXKVMNBHPAILY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=O)OCC

Functional groups:
COC(C)=O

Link to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP010761

---

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: 0.152

---

Chemical structure download