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

C22H28O4SSi — CID 10982622

IUPAC[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate
SMILESCC(=O)OC1CO[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1
InChIInChI=1S/C22H28O4SSi/c1-17(23)26-21-15-24-20(27-21)16-25-28(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21H,15-16H2,1-4H3/t20-,21?/m1/s1
InChIKeySESKICJEHSPAGM-VQCQRNETSA-N
MW416.62 g/mol
LogP3.54
Rot. Bonds6

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

[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate (PubChem CID 10982622) has the molecular formula C22H28O4SSi and a molecular weight of 416.62 g/mol. Its IUPAC name is [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate.

Molecular Properties

Compound Name[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate
PubChem CID10982622
Molecular FormulaC22H28O4SSi
Molecular Weight416.62 g/mol
Exact Mass416.15
IUPAC Name[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate
SMILESCC(=O)OC1CO[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1
InChIInChI=1S/C22H28O4SSi/c1-17(23)26-21-15-24-20(27-21)16-25-28(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21H,15-16H2,1-4H3/t20-,21?/m1/s1
InChIKeySESKICJEHSPAGM-VQCQRNETSA-N
XLogP3.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.62
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate?
The IUPAC name of [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate (CID 10982622) is [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate.
What is the SMILES notation for [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate?
The canonical SMILES for [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate is CC(=O)OC1CO[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1.
What is the InChIKey of [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate?
The InChIKey is SESKICJEHSPAGM-VQCQRNETSA-N. The full InChI is InChI=1S/C22H28O4SSi/c1-17(23)26-21-15-24-20(27-21)16-25-28(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21H,15-16H2,1-4H3/t20-,21?/m1/s1.
What are the key properties of [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate?
[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate has a molecular weight of 416.62 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate is sourced from PubChem (CID 10982622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).