trimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane

C24H38OSSi2 — CID 67702859

IUPACtrimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane
SMILESCc1ccc([C@@H](CS(=O)C[C@H](c2ccc(C)cc2)[Si](C)(C)C)[Si](C)(C)C)cc1
InChIInChI=1S/C24H38OSSi2/c1-19-9-13-21(14-10-19)23(27(3,4)5)17-26(25)18-24(28(6,7)8)22-15-11-20(2)12-16-22/h9-16,23-24H,17-18H2,1-8H3/t23-,24-/m1/s1
InChIKeyQFAQRMJYIAWNMZ-DNQXCXABSA-N
MW430.81 g/mol
LogP6.67
Rot. Bonds8

About trimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane

trimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane (PubChem CID 67702859) has the molecular formula C24H38OSSi2 and a molecular weight of 430.81 g/mol. Its IUPAC name is trimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane.

Molecular Properties

Compound Nametrimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane
PubChem CID67702859
Molecular FormulaC24H38OSSi2
Molecular Weight430.81 g/mol
Exact Mass430.22
IUPAC Nametrimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane
SMILESCc1ccc([C@@H](CS(=O)C[C@H](c2ccc(C)cc2)[Si](C)(C)C)[Si](C)(C)C)cc1
InChIInChI=1S/C24H38OSSi2/c1-19-9-13-21(14-10-19)23(27(3,4)5)17-26(25)18-24(28(6,7)8)22-15-11-20(2)12-16-22/h9-16,23-24H,17-18H2,1-8H3/t23-,24-/m1/s1
InChIKeyQFAQRMJYIAWNMZ-DNQXCXABSA-N
XLogP6.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.81
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane
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N-ethyl-1-(4-methylphenyl)-2-pentylsulfinylethanamine
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1-(4-methylphenyl)ethanesulfinic acid
CID 57234781
2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
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CID 158402729
CID 158402729
(3S)-4-hydroxy-3-(4-methylphenyl)butan-2-one
CID 122606253
ethane;fluoro-(4-methylphenyl)methanesulfinic acid
CID 143524214
1-[(1S,2R)-1-[(1S,2R)-2,3-dimethyl-1-(4-methylphenyl)butyl]sulfinyl-2,3-dimethylbutyl]-4-methylbenzene
CID 67917263
1-(4-methylphenyl)propyl hydrogen sulfite
CID 175051179
N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine
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(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10932431

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane?
The IUPAC name of trimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane (CID 67702859) is trimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane.
What is the SMILES notation for trimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane?
The canonical SMILES for trimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane is Cc1ccc([C@@H](CS(=O)C[C@H](c2ccc(C)cc2)[Si](C)(C)C)[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane?
The InChIKey is QFAQRMJYIAWNMZ-DNQXCXABSA-N. The full InChI is InChI=1S/C24H38OSSi2/c1-19-9-13-21(14-10-19)23(27(3,4)5)17-26(25)18-24(28(6,7)8)22-15-11-20(2)12-16-22/h9-16,23-24H,17-18H2,1-8H3/t23-,24-/m1/s1.
What are the key properties of trimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane?
trimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane has a molecular weight of 430.81 g/mol, XLogP of 6.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane is sourced from PubChem (CID 67702859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).