3-hydroxy-4-methyloctanoic acid

C9H18O3 — CID 18408232

IUPAC3-hydroxy-4-methyloctanoic acid
SMILESCCCCC(C)C(O)CC(=O)O
InChIInChI=1S/C9H18O3/c1-3-4-5-7(2)8(10)6-9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyGUXUIBFKSWOPEY-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.65
Rot. Bonds6

About 3-hydroxy-4-methyloctanoic acid

3-hydroxy-4-methyloctanoic acid (PubChem CID 18408232) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-hydroxy-4-methyloctanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-methyloctanoic acid
PubChem CID18408232
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name3-hydroxy-4-methyloctanoic acid
SMILESCCCCC(C)C(O)CC(=O)O
InChIInChI=1S/C9H18O3/c1-3-4-5-7(2)8(10)6-9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyGUXUIBFKSWOPEY-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-4-methyloctanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyloctanoic acid?
The IUPAC name of 3-hydroxy-4-methyloctanoic acid (CID 18408232) is 3-hydroxy-4-methyloctanoic acid.
What is the SMILES notation for 3-hydroxy-4-methyloctanoic acid?
The canonical SMILES for 3-hydroxy-4-methyloctanoic acid is CCCCC(C)C(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-methyloctanoic acid?
The InChIKey is GUXUIBFKSWOPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-4-5-7(2)8(10)6-9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-hydroxy-4-methyloctanoic acid?
3-hydroxy-4-methyloctanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyloctanoic acid is sourced from PubChem (CID 18408232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).