Summary

IMPPAT Phytochemical identifier: IMPHY017125

Phytochemical name: 3-Dodecanone

Synonymous chemical names:
3-dodecanone

External chemical identifiers:
CID:15229, ZINC:ZINC000001606044, SureChEMBL:SCHEMBL811181, MolPort-006-113-374

---

Chemical structure information

SMILES:
CCCCCCCCCC(=O)CC

InChI:
InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-11H2,1-2H3

InChIKey:
PERIHWAPLOBAJM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=O)CC

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: 0.791

---

Chemical structure download