Summary

IMPPAT Phytochemical identifier: IMPHY015767

Phytochemical name: 6-Methyl-1-heptanol

Synonymous chemical names:
6-methyl heptanol, isooctanol

External chemical identifiers:
CID:15450, ChEBI:44009, ZINC:ZINC000002039356, FDASRS:IJF7D6C38T, SureChEMBL:SCHEMBL26877, MolPort-006-149-175

---

Chemical structure information

SMILES:
OCCCCCC(C)C

InChI:
InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

InChIKey:
BWDBEAQIHAEVLV-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCC)C

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: 1.163

---

Chemical structure download