Summary

IMPPAT Phytochemical identifier: IMPHY006353

Phytochemical name: 3-Nonanone

Synonymous chemical names:
3-nonanone

External chemical identifiers:
CID:61235, ZINC:ZINC000001850920, FDASRS:00C380UHNL, SureChEMBL:SCHEMBL104700, MolPort-001-769-801

---

Chemical structure information

SMILES:
CCCCCCC(=O)CC

InChI:
InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3

InChIKey:
IYTXKIXETAELAV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC=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: 1.029

---

Chemical structure download