Summary

IMPPAT Phytochemical identifier: IMPHY015819

Phytochemical name: Methyl 2-hydroxy-4-methylpentanoate

Synonymous chemical names:
methyl 2-hydroxy-4-methylpentanoate, methyl 2-hydroxy-4methylpentanoate

External chemical identifiers:
CID:62908, ChEBI:169035, FDASRS:G89113PPP5, SureChEMBL:SCHEMBL1566456, MolPort-006-128-113

---

Chemical structure information

SMILES:
COC(=O)C(CC(C)C)O

InChI:
InChI=1S/C7H14O3/c1-5(2)4-6(8)7(9)10-3/h5-6,8H,4H2,1-3H3

InChIKey:
JOSNYUDSMPILKL-UHFFFAOYSA-N

DeepSMILES:
COC=O)CCCC)C)))O

Functional groups:
CO, COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.064

---

Chemical structure download