Summary

IMPPAT Phytochemical identifier: IMPHY009751

Phytochemical name: 1-Heptanol

Synonymous chemical names:
1-heptanol, heptan- 1-01, heptan- 1-ol, heptan-1-ol, heptanol, heptanol*, n-heptylalcohol

External chemical identifiers:
CID:8129, ChEMBL:CHEMBL273459, ChEBI:43003, ZINC:ZINC000001666984, FDASRS:8JQ5607IO5, SureChEMBL:SCHEMBL2077, MolPort-001-779-717

---

Chemical structure information

SMILES:
CCCCCCCO

InChI:
InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

InChIKey:
BBMCTIGTTCKYKF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCO

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: 0.938

---

Chemical structure download