Summary

IMPPAT Phytochemical identifier: IMPHY007206

Phytochemical name: Dodecyl acetate

Synonymous chemical names:
dodecyl acetate, lauryl acetate

External chemical identifiers:
CID:8205, ChEMBL:CHEMBL2228460, ChEBI:165649, ZINC:ZINC000001694423, FDASRS:76J36KE44B, SureChEMBL:SCHEMBL159219, MolPort-003-941-017

---

Chemical structure information

SMILES:
CCCCCCCCCCCCOC(=O)C

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

InChIKey:
VZWGRQBCURJOMT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCOC=O)C

Functional groups:
COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.466

---

Chemical structure download