[4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate

C18H39O8PSSi — CID 21255853

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate
SMILESCC(C)OP(=O)(OC(C)C)C1OC(COS(C)(=O)=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39O8PSSi/c1-13(2)24-27(19,25-14(3)4)17-16(26-29(9,10)18(5,6)7)11-15(23-17)12-22-28(8,20)21/h13-17H,11-12H2,1-10H3
InChIKeyCULWSXZPVDCJTP-UHFFFAOYSA-N
MW474.63 g/mol
LogP4.51
Rot. Bonds10

About [4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate

[4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate (PubChem CID 21255853) has the molecular formula C18H39O8PSSi and a molecular weight of 474.63 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate
PubChem CID21255853
Molecular FormulaC18H39O8PSSi
Molecular Weight474.63 g/mol
Exact Mass474.19
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate
SMILESCC(C)OP(=O)(OC(C)C)C1OC(COS(C)(=O)=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39O8PSSi/c1-13(2)24-27(19,25-14(3)4)17-16(26-29(9,10)18(5,6)7)11-15(23-17)12-22-28(8,20)21/h13-17H,11-12H2,1-10H3
InChIKeyCULWSXZPVDCJTP-UHFFFAOYSA-N
XLogP4.51
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate
CID 11784783
tert-butyl-[(2S,3R,5S)-2-di(propan-2-yloxy)phosphoryl-5-(methylsulfonylmethyl)oxolan-3-yl]oxy-dimethylsilane
CID 56638584
[(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-dimethylphosphoryloxolan-2-yl]methyl methanesulfonate
CID 59909283
[(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate
CID 59909290
CID 173737820
CID 173737820
Tert-butyl-[2-di(propan-2-yloxy)phosphoryl-5-(methylsulfonylmethyl)oxolan-3-yl]oxy-dimethylsilane
CID 19065863

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate (CID 21255853) is [4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate is CC(C)OP(=O)(OC(C)C)C1OC(COS(C)(=O)=O)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate?
The InChIKey is CULWSXZPVDCJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O8PSSi/c1-13(2)24-27(19,25-14(3)4)17-16(26-29(9,10)18(5,6)7)11-15(23-17)12-22-28(8,20)21/h13-17H,11-12H2,1-10H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate?
[4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate has a molecular weight of 474.63 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-5-di(propan-2-yloxy)phosphoryloxolan-2-yl]methyl methanesulfonate is sourced from PubChem (CID 21255853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).