3-hydroxy-4,4-dimethyloxolan-2-one

C6H10O3 — CID 989

IUPAC3-hydroxy-4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)C1O
InChIInChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3
InChIKeySERHXTVXHNVDKA-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.07
Rot. Bonds

About 3-hydroxy-4,4-dimethyloxolan-2-one

3-hydroxy-4,4-dimethyloxolan-2-one (PubChem CID 989) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 3-hydroxy-4,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name3-hydroxy-4,4-dimethyloxolan-2-one
PubChem CID989
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name3-hydroxy-4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)C1O
InChIInChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3
InChIKeySERHXTVXHNVDKA-UHFFFAOYSA-N
XLogP-0.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-4,4-dimethyloxolan-2-one 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-4,4-dimethyloxolan-2-one?
The IUPAC name of 3-hydroxy-4,4-dimethyloxolan-2-one (CID 989) is 3-hydroxy-4,4-dimethyloxolan-2-one.
What is the SMILES notation for 3-hydroxy-4,4-dimethyloxolan-2-one?
The canonical SMILES for 3-hydroxy-4,4-dimethyloxolan-2-one is CC1(C)COC(=O)C1O.
What is the InChIKey of 3-hydroxy-4,4-dimethyloxolan-2-one?
The InChIKey is SERHXTVXHNVDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3.
What are the key properties of 3-hydroxy-4,4-dimethyloxolan-2-one?
3-hydroxy-4,4-dimethyloxolan-2-one has a molecular weight of 130.14 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,4-dimethyloxolan-2-one is sourced from PubChem (CID 989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).