3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid

C10H18O5 — CID 90820434

IUPAC3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid
SMILESCC(C)(O)CC(=O)OC(C)(C)CC(=O)O
InChIInChI=1S/C10H18O5/c1-9(2,14)6-8(13)15-10(3,4)5-7(11)12/h14H,5-6H2,1-4H3,(H,11,12)
InChIKeyWYJSBCGVJFARCR-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.94
Rot. Bonds5

About 3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid

3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid (PubChem CID 90820434) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid
PubChem CID90820434
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid
SMILESCC(C)(O)CC(=O)OC(C)(C)CC(=O)O
InChIInChI=1S/C10H18O5/c1-9(2,14)6-8(13)15-10(3,4)5-7(11)12/h14H,5-6H2,1-4H3,(H,11,12)
InChIKeyWYJSBCGVJFARCR-UHFFFAOYSA-N
XLogP0.94
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-hydroxy-3-methylbutanoyl)oxy-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

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid?
The IUPAC name of 3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid (CID 90820434) is 3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid?
The canonical SMILES for 3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid is CC(C)(O)CC(=O)OC(C)(C)CC(=O)O.
What is the InChIKey of 3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid?
The InChIKey is WYJSBCGVJFARCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-9(2,14)6-8(13)15-10(3,4)5-7(11)12/h14H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid?
3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid has a molecular weight of 218.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutanoyl)oxy-3-methylbutanoic acid is sourced from PubChem (CID 90820434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).