Summary

IMPPAT Phytochemical identifier: IMPHY003097

Phytochemical name: 5-Dodecanone

Synonymous chemical names:
5-dodecanone

External chemical identifiers:
CID:29771, ZINC:ZINC000001606046, SureChEMBL:SCHEMBL963631

---

Chemical structure information

SMILES:
CCCCCCCC(=O)CCCC

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

InChIKey:
DOXYUCZSYSEALW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=O)CCCC

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: 0.612

---

Chemical structure download