2-cyclooctyl-2-hydroxy-3-methylbutanoic acid

C13H24O3 — CID 79303151

IUPAC2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
SMILESCC(C)C(O)(C(=O)O)C1CCCCCCC1
InChIInChI=1S/C13H24O3/c1-10(2)13(16,12(14)15)11-8-6-4-3-5-7-9-11/h10-11,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyCLEDLDYCCXTHLV-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.82
Rot. Bonds3

About 2-cyclooctyl-2-hydroxy-3-methylbutanoic acid

2-cyclooctyl-2-hydroxy-3-methylbutanoic acid (PubChem CID 79303151) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-cyclooctyl-2-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
PubChem CID79303151
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
SMILESCC(C)C(O)(C(=O)O)C1CCCCCCC1
InChIInChI=1S/C13H24O3/c1-10(2)13(16,12(14)15)11-8-6-4-3-5-7-9-11/h10-11,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyCLEDLDYCCXTHLV-UHFFFAOYSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclooctyl-2-hydroxy-3-methylbutanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclobutyl-2-hydroxy-3-methylbutanoic acid
CID 81251876
3-cyclopentyl-2,4-dimethylpentan-3-ol
CID 130529014
2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid
CID 106824703
3-cyclohexyl-2,3-dimethylbutanoic acid
CID 83699558
dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate
CID 141412517
2,3-ditert-butyl-2-cyclohexylbutanedioic acid
CID 175057284
3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid
CID 105452917
3-(2-cyclohexylpropan-2-yloxy)-2-methyl-3-oxopropanoic acid
CID 170442794
2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
CID 23202697
(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid
CID 67022454
acetic acid;tert-butylcyclohexane
CID 69013500
1,1-dicyclohexyl-1-hydroxypropan-2-one
CID 102386350

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-2-hydroxy-3-methylbutanoic acid?
The IUPAC name of 2-cyclooctyl-2-hydroxy-3-methylbutanoic acid (CID 79303151) is 2-cyclooctyl-2-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 2-cyclooctyl-2-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 2-cyclooctyl-2-hydroxy-3-methylbutanoic acid is CC(C)C(O)(C(=O)O)C1CCCCCCC1.
What is the InChIKey of 2-cyclooctyl-2-hydroxy-3-methylbutanoic acid?
The InChIKey is CLEDLDYCCXTHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-10(2)13(16,12(14)15)11-8-6-4-3-5-7-9-11/h10-11,16H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclooctyl-2-hydroxy-3-methylbutanoic acid?
2-cyclooctyl-2-hydroxy-3-methylbutanoic acid has a molecular weight of 228.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-2-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 79303151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).