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

C22H28O4SSi — CID 10454605

IUPAC[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate
SMILESCC(=O)OC1CS[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C22H28O4SSi/c1-17(23)25-20-16-27-21(26-20)15-24-28(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
InChIKeyDAQRHEIFQFYAOZ-BPGUCPLFSA-N
MW416.62 g/mol
LogP3.54
Rot. Bonds6

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

[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate (PubChem CID 10454605) 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-5-yl] acetate.

Molecular Properties

Compound Name[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate
PubChem CID10454605
Molecular FormulaC22H28O4SSi
Molecular Weight416.62 g/mol
Exact Mass416.15
IUPAC Name[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate
SMILESCC(=O)OC1CS[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C22H28O4SSi/c1-17(23)25-20-16-27-21(26-20)15-24-28(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
InChIKeyDAQRHEIFQFYAOZ-BPGUCPLFSA-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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Related Compounds

[2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate
CID 11531780
1,3-Oxathiolan-5-one, 2-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-
CID 12016626
(2S)-2-[[[(1,1-Dimethylethyl)diphenylsilyl]oxy]methyl]-1,3-oxathiolan-5-ol 5-Acetate
CID 15659033
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-ol
CID 140801401
[2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-3-oxo-1,3-oxathiolan-5-yl] acetate
CID 134847729
[4-Acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate
CID 134847730
methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylate
CID 178326392
[2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl] acetate
CID 10873076
1-O-acetyl-5-O-(tert-butyldiphenylsilyl)-2,3-dideoxy-4-thio-L-ribofuranose
CID 10873398
[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate
CID 10982622
1-O-Acetyl-5-O-t-butyldiphenylsilyl-4-thio-2,3-dideoxyribofuranose
CID 15126098
[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl] acetate
CID 15659233

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate?
The IUPAC name of [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate (CID 10454605) is [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate.
What is the SMILES notation for [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate?
The canonical SMILES for [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate is CC(=O)OC1CS[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of [(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate?
The InChIKey is DAQRHEIFQFYAOZ-BPGUCPLFSA-N. The full InChI is InChI=1S/C22H28O4SSi/c1-17(23)25-20-16-27-21(26-20)15-24-28(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-5-yl] acetate?
[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-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-5-yl] acetate is sourced from PubChem (CID 10454605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).