[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate

C13H28O6SSi — CID 14990095

IUPAC[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate
SMILESCOC1C[C@H](OS(C)(=O)=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H28O6SSi/c1-13(2,3)21(6,7)17-9-11-10(19-20(5,14)15)8-12(16-4)18-11/h10-12H,8-9H2,1-7H3/t10-,11+,12?/m0/s1
InChIKeyRPMSZPZNHNPYGG-WIKAKEFZSA-N
MW340.51 g/mol
LogP2.11
Rot. Bonds6

About [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate

[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate (PubChem CID 14990095) has the molecular formula C13H28O6SSi and a molecular weight of 340.51 g/mol. Its IUPAC name is [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate.

Molecular Properties

Compound Name[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate
PubChem CID14990095
Molecular FormulaC13H28O6SSi
Molecular Weight340.51 g/mol
Exact Mass340.14
IUPAC Name[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate
SMILESCOC1C[C@H](OS(C)(=O)=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H28O6SSi/c1-13(2,3)21(6,7)17-9-11-10(19-20(5,14)15)8-12(16-4)18-11/h10-12H,8-9H2,1-7H3/t10-,11+,12?/m0/s1
InChIKeyRPMSZPZNHNPYGG-WIKAKEFZSA-N
XLogP2.11
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate?
The IUPAC name of [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate (CID 14990095) is [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate.
What is the SMILES notation for [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate?
The canonical SMILES for [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate is COC1C[C@H](OS(C)(=O)=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate?
The InChIKey is RPMSZPZNHNPYGG-WIKAKEFZSA-N. The full InChI is InChI=1S/C13H28O6SSi/c1-13(2,3)21(6,7)17-9-11-10(19-20(5,14)15)8-12(16-4)18-11/h10-12H,8-9H2,1-7H3/t10-,11+,12?/m0/s1.
What are the key properties of [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate?
[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate has a molecular weight of 340.51 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate is sourced from PubChem (CID 14990095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).