3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid

C7H12O4 — CID 130941655

IUPAC3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid
SMILESCC1CC(O)(C(=O)O)C(C)O1
InChIInChI=1S/C7H12O4/c1-4-3-7(10,6(8)9)5(2)11-4/h4-5,10H,3H2,1-2H3,(H,8,9)
InChIKeyVVDCRXPWUKTBAI-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.00
Rot. Bonds1

About 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid

3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid (PubChem CID 130941655) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid
PubChem CID130941655
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid
SMILESCC1CC(O)(C(=O)O)C(C)O1
InChIInChI=1S/C7H12O4/c1-4-3-7(10,6(8)9)5(2)11-4/h4-5,10H,3H2,1-2H3,(H,8,9)
InChIKeyVVDCRXPWUKTBAI-UHFFFAOYSA-N
XLogP-0.00
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-2,5-dimethyloxolane-3-carboxylic 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-2,5-dimethyloxolane-3-carboxylic acid?
The IUPAC name of 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid (CID 130941655) is 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid.
What is the SMILES notation for 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid?
The canonical SMILES for 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid is CC1CC(O)(C(=O)O)C(C)O1.
What is the InChIKey of 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid?
The InChIKey is VVDCRXPWUKTBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-4-3-7(10,6(8)9)5(2)11-4/h4-5,10H,3H2,1-2H3,(H,8,9).
What are the key properties of 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid?
3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid has a molecular weight of 160.17 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,5-dimethyloxolane-3-carboxylic acid is sourced from PubChem (CID 130941655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).