Summary

IMPPAT Phytochemical identifier: IMPHY012250

Phytochemical name: 2-Octadecanone

Synonymous chemical names:
2-octadecanone

External chemical identifiers:
CID:81844, ChEMBL:CHEMBL3273576, ZINC:ZINC000086050996, SureChEMBL:SCHEMBL29092

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC(=O)C

InChI:
InChI=1S/C18H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h3-17H2,1-2H3

InChIKey:
PJLJQAWUAPNCJC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC=O)C

Functional groups:
CC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.381

---

Chemical structure download