Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018202

Phytochemical name: 1-Dodecanol, 2-hexyl-

Synonymous chemical names:
1-Dodecanol, 2-hexyl-

External chemical identifiers:
CID:CID_86112, FDASRS:NR6259U734, SureChEMBL:SCHEMBL515581

---

Chemical structure information

SMILES:
CCCCCCCCCCC(CCCCCC)CO

InChI:
InChI=1S/C18H38O/c1-3-5-7-9-10-11-12-14-16-18(17-19)15-13-8-6-4-2/h18-19H,3-17H2,1-2H3

InChIKey:
LOIMOHMWAXGSLR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC))))))CO

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: 0.851

---

Chemical structure download