[(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate

C13H14O4 — CID 156581026

IUPAC[(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@@H](Cc2ccccc2)OC1=O
InChIInChI=1S/C13H14O4/c1-9(14)16-12-8-11(17-13(12)15)7-10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3/t11-,12-/m1/s1
InChIKeyOWLHLZVRYIBCJI-VXGBXAGGSA-N
MW234.25 g/mol
LogP1.48
Rot. Bonds3

About [(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate

[(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate (PubChem CID 156581026) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is [(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate
PubChem CID156581026
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name[(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@@H](Cc2ccccc2)OC1=O
InChIInChI=1S/C13H14O4/c1-9(14)16-12-8-11(17-13(12)15)7-10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3/t11-,12-/m1/s1
InChIKeyOWLHLZVRYIBCJI-VXGBXAGGSA-N
XLogP1.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate 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 [(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate?
The IUPAC name of [(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate (CID 156581026) is [(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate.
What is the SMILES notation for [(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate?
The canonical SMILES for [(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate is CC(=O)O[C@@H]1C[C@@H](Cc2ccccc2)OC1=O.
What is the InChIKey of [(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate?
The InChIKey is OWLHLZVRYIBCJI-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H14O4/c1-9(14)16-12-8-11(17-13(12)15)7-10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate?
[(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate has a molecular weight of 234.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-benzyl-2-oxooxolan-3-yl] acetate is sourced from PubChem (CID 156581026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).