tert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane

C24H36O3S2Si — CID 24881765

IUPACtert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane
SMILESCc1ccc([S@](=O)C([C@H](C)CO[Si](C)(C)C(C)(C)C)[S@@](=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H36O3S2Si/c1-18-9-13-21(14-10-18)28(25)23(29(26)22-15-11-19(2)12-16-22)20(3)17-27-30(7,8)24(4,5)6/h9-16,20,23H,17H2,1-8H3/t20-,28+,29+/m1/s1
InChIKeyWKNMIRVNLRWNRM-YMUMJAELSA-N
MW464.77 g/mol
LogP6.20
Rot. Bonds8

About tert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane

tert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane (PubChem CID 24881765) has the molecular formula C24H36O3S2Si and a molecular weight of 464.77 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane
PubChem CID24881765
Molecular FormulaC24H36O3S2Si
Molecular Weight464.77 g/mol
Exact Mass464.19
IUPAC Nametert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane
SMILESCc1ccc([S@](=O)C([C@H](C)CO[Si](C)(C)C(C)(C)C)[S@@](=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H36O3S2Si/c1-18-9-13-21(14-10-18)28(25)23(29(26)22-15-11-19(2)12-16-22)20(3)17-27-30(7,8)24(4,5)6/h9-16,20,23H,17H2,1-8H3/t20-,28+,29+/m1/s1
InChIKeyWKNMIRVNLRWNRM-YMUMJAELSA-N
XLogP6.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.77
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-Methylphenyl){3-[(4-methylphenyl)sulfinyl]propyl}oxo-lambda~4~-sulfane
CID 1483197
[Benzenesulfonyl(phenyl)methyl]-trimethylsilane
CID 13164703
tert-butyl-dimethyl-[(E)-5-methyl-7-(4-methylphenyl)sulfonyl-7-[3-(trifluoromethyl)phenyl]hept-4-enoxy]silane
CID 15291756
Tert-butyl-dimethyl-[5-methyl-7-(4-methylphenyl)sulfonyl-7-[3-(trifluoromethyl)phenyl]hept-4-enoxy]silane
CID 53810348
[4-[(4-Fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane
CID 90224541
4-Methylphenyl 1-[(4-methylphenyl)sulfanyl]-2-propenyl sulfone
CID 3275512
2-(Phenylsulfanyl)ethyl 4-methylbenzene-1-sulfonate
CID 13863142
3-[3-(4-Methylphenyl)sulfonyloxypropylsulfanyl]propyl 4-methylbenzenesulfonate
CID 15793674
tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
CID 10380832
tert-butyl-[(Z,3R,4S)-2,4-dimethyl-6-phenyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
CID 11026321
Tert-butyl-dimethyl-[1-(4-methylphenyl)sulfanylpropan-2-yloxy]silane
CID 12061429
tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
CID 12061432

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane (CID 24881765) is tert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane is Cc1ccc([S@](=O)C([C@H](C)CO[Si](C)(C)C(C)(C)C)[S@@](=O)c2ccc(C)cc2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane?
The InChIKey is WKNMIRVNLRWNRM-YMUMJAELSA-N. The full InChI is InChI=1S/C24H36O3S2Si/c1-18-9-13-21(14-10-18)28(25)23(29(26)22-15-11-19(2)12-16-22)20(3)17-27-30(7,8)24(4,5)6/h9-16,20,23H,17H2,1-8H3/t20-,28+,29+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane?
tert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane has a molecular weight of 464.77 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-2-methyl-3,3-bis[(S)-(4-methylphenyl)sulfinyl]propoxy]silane is sourced from PubChem (CID 24881765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).