Summary

IMPPAT Phytochemical identifier: IMPHY011006

Phytochemical name: 1,8-Octanediol

Synonymous chemical names:
1,8-octanediol

External chemical identifiers:
CID:69420, ChEBI:44630, ZINC:ZINC000001574321, FDASRS:806K32R50Z, SureChEMBL:SCHEMBL22427, MolPort-001-761-199

---

Chemical structure information

SMILES:
OCCCCCCCCO

InChI:
InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2

InChIKey:
OEIJHBUUFURJLI-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCO

Functional groups:
CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.62

---

Chemical structure download