Summary

IMPPAT Phytochemical identifier: IMPHY002063

Phytochemical name: 4-Methyl-1-pentanol

Synonymous chemical names:
4-methyl-1-pentanol, pentan-1-ol,4-methyl

External chemical identifiers:
CID:12296, ChEMBL:CHEMBL2260955, ChEBI:63910, ZINC:ZINC000001592388, FDASRS:X796XFP7D4, SureChEMBL:SCHEMBL23739, MolPort-001-787-133

---

Chemical structure information

SMILES:
OCCCC(C)C

InChI:
InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3

InChIKey:
PCWGTDULNUVNBN-UHFFFAOYSA-N

DeepSMILES:
OCCCCC)C

Functional groups:
CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.37

---

Chemical structure download