tert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane

C27H32O3SSi — CID 101406917

IUPACtert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane
SMILESCc1ccc(S(=O)C2OC2(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C27H32O3SSi/c1-21-16-18-22(19-17-21)31(28)25-27(5,30-25)20-29-32(26(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-19,25H,20H2,1-5H3
InChIKeyADNUUXGDKDVJES-UHFFFAOYSA-N
MW464.70 g/mol
LogP4.79
Rot. Bonds7

About tert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane

tert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane (PubChem CID 101406917) has the molecular formula C27H32O3SSi and a molecular weight of 464.70 g/mol. Its IUPAC name is tert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane
PubChem CID101406917
Molecular FormulaC27H32O3SSi
Molecular Weight464.70 g/mol
Exact Mass464.18
IUPAC Nametert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane
SMILESCc1ccc(S(=O)C2OC2(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C27H32O3SSi/c1-21-16-18-22(19-17-21)31(28)25-27(5,30-25)20-29-32(26(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-19,25H,20H2,1-5H3
InChIKeyADNUUXGDKDVJES-UHFFFAOYSA-N
XLogP4.79
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.70
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-oxo-phenyl-lambda6-sulfanylidene]-4-methylbenzenesulfonamide
CID 10504946
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
tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyloxiran-2-yl]methoxy]-diphenylsilane
CID 10994473
tert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane
CID 24881765
tert-butyl-[(3R)-3-[(3R)-1-iodo-5-methoxypentan-3-yl]oxy-5-(4-methylphenyl)sulfonylpentoxy]-diphenylsilane
CID 134882487
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 134937816
tert-butyl-[5-[(S)-(4-methylphenyl)sulfinyl]pent-4-yn-2-yloxy]-diphenylsilane
CID 134941139
tert-butyl-[1-[(2S,3R)-3-[(R)-(4-methylphenyl)sulfinyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-yloxy]-diphenylsilane
CID 134941152
tert-butyl-[(2Z,6Z,10E,14E)-3,7,11,15,19-pentamethyl-9-(4-methylphenyl)sulfonylicosa-2,6,10,14,18-pentaenoxy]-diphenylsilane
CID 138983507
tert-butyl-dimethyl-[(2S)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane
CID 139253746
tert-butyl-[(2S)-4-(4-methylphenyl)sulfonyl-2-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]butoxy]-diphenylsilane
CID 10626812

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane (CID 101406917) is tert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane is Cc1ccc(S(=O)C2OC2(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane?
The InChIKey is ADNUUXGDKDVJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O3SSi/c1-21-16-18-22(19-17-21)31(28)25-27(5,30-25)20-29-32(26(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-19,25H,20H2,1-5H3.
What are the key properties of tert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane has a molecular weight of 464.70 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 101406917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).