[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane

C26H30O4SSi — CID 15935855

IUPAC[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane
SMILESC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H30O4SSi/c1-20(24-25(29-24)31(27,28)21-14-8-5-9-15-21)30-32(26(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20,24-25H,1-4H3/t20-,24+,25+/m0/s1
InChIKeyNRQXWRFPYYMNLV-BUUDZMLXSA-N
MW466.68 g/mol
LogP4.15
Rot. Bonds7

About [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane

[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane (PubChem CID 15935855) has the molecular formula C26H30O4SSi and a molecular weight of 466.68 g/mol. Its IUPAC name is [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane
PubChem CID15935855
Molecular FormulaC26H30O4SSi
Molecular Weight466.68 g/mol
Exact Mass466.16
IUPAC Name[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane
SMILESC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H30O4SSi/c1-20(24-25(29-24)31(27,28)21-14-8-5-9-15-21)30-32(26(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20,24-25H,1-4H3/t20-,24+,25+/m0/s1
InChIKeyNRQXWRFPYYMNLV-BUUDZMLXSA-N
XLogP4.15
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.68
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane 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

[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10914452
tert-butyl-[(1S)-1-[(2S,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]ethoxy]-diphenylsilane
CID 10983467
[(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10994066
[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 10994068
tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane
CID 10994473
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane
CID 15935891
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15935893
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-diphenylsilane
CID 16081893
1,1-Bis(benzenesulfonyl)octa-6,7-dien-4-yloxy-tert-butyl-diphenylsilane
CID 101929825
[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134878363
[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methyl-tert-butyl-dimethylsilane
CID 134878414
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex(a)-Bes
CID 134878493

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane (CID 15935855) is [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane is C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane?
The InChIKey is NRQXWRFPYYMNLV-BUUDZMLXSA-N. The full InChI is InChI=1S/C26H30O4SSi/c1-20(24-25(29-24)31(27,28)21-14-8-5-9-15-21)30-32(26(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20,24-25H,1-4H3/t20-,24+,25+/m0/s1.
What are the key properties of [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane?
[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane has a molecular weight of 466.68 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 15935855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).