[4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate

C24H30O6SSi — CID 134847730

IUPAC[4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate
SMILESCC(=O)OC1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)SC1OC(C)=O
InChIInChI=1S/C24H30O6SSi/c1-17(25)28-22-23(29-18(2)26)31-21(30-22)16-27-32(24(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-23H,16H2,1-5H3
InChIKeyGMJSJYPAXBSJHZ-UHFFFAOYSA-N
MW474.65 g/mol
LogP3.43
Rot. Bonds7

About [4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate

[4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate (PubChem CID 134847730) has the molecular formula C24H30O6SSi and a molecular weight of 474.65 g/mol. Its IUPAC name is [4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate.

Molecular Properties

Compound Name[4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate
PubChem CID134847730
Molecular FormulaC24H30O6SSi
Molecular Weight474.65 g/mol
Exact Mass474.15
IUPAC Name[4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate
SMILESCC(=O)OC1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)SC1OC(C)=O
InChIInChI=1S/C24H30O6SSi/c1-17(25)28-22-23(29-18(2)26)31-21(30-22)16-27-32(24(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-23H,16H2,1-5H3
InChIKeyGMJSJYPAXBSJHZ-UHFFFAOYSA-N
XLogP3.43
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-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 [4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate?
The IUPAC name of [4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate (CID 134847730) is [4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate.
What is the SMILES notation for [4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate?
The canonical SMILES for [4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate is CC(=O)OC1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)SC1OC(C)=O.
What is the InChIKey of [4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate?
The InChIKey is GMJSJYPAXBSJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6SSi/c1-17(25)28-22-23(29-18(2)26)31-21(30-22)16-27-32(24(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-23H,16H2,1-5H3.
What are the key properties of [4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate?
[4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate has a molecular weight of 474.65 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate is sourced from PubChem (CID 134847730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).