methyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate

C19H22O5SSi — CID 20744778

IUPACmethyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate
SMILESCOC(=O)OC1CSC(CO[Si](C)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C19H22O5SSi/c1-21-19(20)24-17-14-25-18(23-17)13-22-26(2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKeyVDRWASVBFGNVKU-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.59
Rot. Bonds6

About methyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate

methyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate (PubChem CID 20744778) has the molecular formula C19H22O5SSi and a molecular weight of 390.53 g/mol. Its IUPAC name is methyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate.

Molecular Properties

Compound Namemethyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate
PubChem CID20744778
Molecular FormulaC19H22O5SSi
Molecular Weight390.53 g/mol
Exact Mass390.10
IUPAC Namemethyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate
SMILESCOC(=O)OC1CSC(CO[Si](C)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C19H22O5SSi/c1-21-19(20)24-17-14-25-18(23-17)13-22-26(2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKeyVDRWASVBFGNVKU-UHFFFAOYSA-N
XLogP2.59
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
(2R)-2-(((tert-Butyldiphenylsilyl)oxy)methyl)-1,3-oxathiolan-5-yl acetate
CID 10454605
[2-[2-(1,3-Dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
CID 11743440
[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
[2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl] acetate
CID 10873076
[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-4-yl] acetate
CID 10982622
[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl] acetate
CID 15659233
[(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl] acetate
CID 15659234

Frequently Asked Questions

What is the IUPAC name of methyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate?
The IUPAC name of methyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate (CID 20744778) is methyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate.
What is the SMILES notation for methyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate?
The canonical SMILES for methyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate is COC(=O)OC1CSC(CO[Si](C)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of methyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate?
The InChIKey is VDRWASVBFGNVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5SSi/c1-21-19(20)24-17-14-25-18(23-17)13-22-26(2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3.
What are the key properties of methyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate?
methyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate has a molecular weight of 390.53 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate is sourced from PubChem (CID 20744778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).