(4S,5S)-4,5-dimethyloxolan-2-one

C6H10O2 — CID 11274985

IUPAC(4S,5S)-4,5-dimethyloxolan-2-one
SMILESC[C@@H]1OC(=O)C[C@@H]1C
InChIInChI=1S/C6H10O2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyPXIPZIPSDBXFQR-WHFBIAKZSA-N
MW114.14 g/mol
LogP0.96
Rot. Bonds

About (4S,5S)-4,5-dimethyloxolan-2-one

(4S,5S)-4,5-dimethyloxolan-2-one (PubChem CID 11274985) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (4S,5S)-4,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4,5-dimethyloxolan-2-one
PubChem CID11274985
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(4S,5S)-4,5-dimethyloxolan-2-one
SMILESC[C@@H]1OC(=O)C[C@@H]1C
InChIInChI=1S/C6H10O2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyPXIPZIPSDBXFQR-WHFBIAKZSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5S)-4,5-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 (4S,5S)-4,5-dimethyloxolan-2-one?
The IUPAC name of (4S,5S)-4,5-dimethyloxolan-2-one (CID 11274985) is (4S,5S)-4,5-dimethyloxolan-2-one.
What is the SMILES notation for (4S,5S)-4,5-dimethyloxolan-2-one?
The canonical SMILES for (4S,5S)-4,5-dimethyloxolan-2-one is C[C@@H]1OC(=O)C[C@@H]1C.
What is the InChIKey of (4S,5S)-4,5-dimethyloxolan-2-one?
The InChIKey is PXIPZIPSDBXFQR-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of (4S,5S)-4,5-dimethyloxolan-2-one?
(4S,5S)-4,5-dimethyloxolan-2-one has a molecular weight of 114.14 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-dimethyloxolan-2-one is sourced from PubChem (CID 11274985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).