tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane

C25H36O3SSi — CID 155642232

IUPACtert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane
SMILESCCOC(C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CS1)OCC
InChIInChI=1S/C25H36O3SSi/c1-6-26-24(27-7-2)18-22(23-19-29-23)28-30(25(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-24H,6-7,18-19H2,1-5H3/t22-,23+/m0/s1
InChIKeyHLANPBDETMAMAU-XZOQPEGZSA-N
MW444.71 g/mol
LogP4.84
Rot. Bonds11

About tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane

tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane (PubChem CID 155642232) has the molecular formula C25H36O3SSi and a molecular weight of 444.71 g/mol. Its IUPAC name is tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane
PubChem CID155642232
Molecular FormulaC25H36O3SSi
Molecular Weight444.71 g/mol
Exact Mass444.22
IUPAC Nametert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane
SMILESCCOC(C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CS1)OCC
InChIInChI=1S/C25H36O3SSi/c1-6-26-24(27-7-2)18-22(23-19-29-23)28-30(25(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-24H,6-7,18-19H2,1-5H3/t22-,23+/m0/s1
InChIKeyHLANPBDETMAMAU-XZOQPEGZSA-N
XLogP4.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.71
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane 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 tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane (CID 155642232) is tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane is CCOC(C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CS1)OCC.
What is the InChIKey of tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane?
The InChIKey is HLANPBDETMAMAU-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H36O3SSi/c1-6-26-24(27-7-2)18-22(23-19-29-23)28-30(25(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-24H,6-7,18-19H2,1-5H3/t22-,23+/m0/s1.
What are the key properties of tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane?
tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane has a molecular weight of 444.71 g/mol, XLogP of 4.84, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane is sourced from PubChem (CID 155642232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).