Summary

IMPPAT Phytochemical identifier: IMPHY017160

Phytochemical name: 2,2-Dimethyl-1-hexanol

Synonymous chemical names:
2,2-dimethychexanol

External chemical identifiers:
CID:16912, ZINC:ZINC000002038673, SureChEMBL:SCHEMBL887744, MolPort-020-915-599

---

Chemical structure information

SMILES:
CCCCC(CO)(C)C

InChI:
InChI=1S/C8H18O/c1-4-5-6-8(2,3)7-9/h9H,4-7H2,1-3H3

InChIKey:
GSSDZVRLQDXOPL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCO))C)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: 0.833

---

Chemical structure download