(2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol

C21H28O2SSi — CID 66636131

IUPAC(2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol
SMILESCC(C)(C)[Si](OC[C@H]1CC[C@@H](O)S1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2SSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(22)24-17/h4-13,17,20,22H,14-16H2,1-3H3/t17-,20+/m1/s1
InChIKeyRILIUIMHQMFPTE-XLIONFOSSA-N
MW372.61 g/mol
LogP3.78
Rot. Bonds5

About (2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol

(2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol (PubChem CID 66636131) has the molecular formula C21H28O2SSi and a molecular weight of 372.61 g/mol. Its IUPAC name is (2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol.

Molecular Properties

Compound Name(2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol
PubChem CID66636131
Molecular FormulaC21H28O2SSi
Molecular Weight372.61 g/mol
Exact Mass372.16
IUPAC Name(2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol
SMILESCC(C)(C)[Si](OC[C@H]1CC[C@@H](O)S1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2SSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(22)24-17/h4-13,17,20,22H,14-16H2,1-3H3/t17-,20+/m1/s1
InChIKeyRILIUIMHQMFPTE-XLIONFOSSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.61
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol?
The IUPAC name of (2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol (CID 66636131) is (2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol.
What is the SMILES notation for (2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol?
The canonical SMILES for (2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol is CC(C)(C)[Si](OC[C@H]1CC[C@@H](O)S1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol?
The InChIKey is RILIUIMHQMFPTE-XLIONFOSSA-N. The full InChI is InChI=1S/C21H28O2SSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(22)24-17/h4-13,17,20,22H,14-16H2,1-3H3/t17-,20+/m1/s1.
What are the key properties of (2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol?
(2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol has a molecular weight of 372.61 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-ol is sourced from PubChem (CID 66636131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).