3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane

C23H32O3S2Si — CID 139253748

IUPAC3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane
SMILESCc1ccc([S@](=O)C(=CCO[Si](C)(C)C(C)(C)C)[S@@](=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H32O3S2Si/c1-18-8-12-20(13-9-18)27(24)22(16-17-26-29(6,7)23(3,4)5)28(25)21-14-10-19(2)11-15-21/h8-16H,17H2,1-7H3/t27-,28-/m0/s1
InChIKeyMSYGZPHSLDCMDZ-NSOVKSMOSA-N
MW448.73 g/mol
LogP6.08
Rot. Bonds7

About 3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane

3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane (PubChem CID 139253748) has the molecular formula C23H32O3S2Si and a molecular weight of 448.73 g/mol. Its IUPAC name is 3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane
PubChem CID139253748
Molecular FormulaC23H32O3S2Si
Molecular Weight448.73 g/mol
Exact Mass448.16
IUPAC Name3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane
SMILESCc1ccc([S@](=O)C(=CCO[Si](C)(C)C(C)(C)C)[S@@](=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H32O3S2Si/c1-18-8-12-20(13-9-18)27(24)22(16-17-26-29(6,7)23(3,4)5)28(25)21-14-10-19(2)11-15-21/h8-16H,17H2,1-7H3/t27-,28-/m0/s1
InChIKeyMSYGZPHSLDCMDZ-NSOVKSMOSA-N
XLogP6.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.73
LogP ≤ 56.08
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

tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
CID 10380832
Trimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane
CID 10893658
tert-butyl-[(Z,3R,4S)-2,4-dimethyl-6-phenyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
CID 11026321
Benzene, 1,1'-[1-tetradecenylidenebis[(S)-sulfinyl]]bis[4-methyl-
CID 11328940
1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enylsulfinyl]benzene
CID 11337356
1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene
CID 11718642
tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
CID 12061432
1-methyl-4-[1-[(S)-(4-methylphenyl)sulfinyl]ethenylsulfanyl]benzene
CID 13593294
1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]ethenylsulfinyl]benzene
CID 13593300
1-methyl-4-[(R)-1-[(S)-(4-methylphenyl)sulfinyl]ethenylsulfinyl]benzene
CID 13593301
trimethyl-[(2E)-2-[[(R)-(4-methylphenyl)sulfinyl]methylidene]hexoxy]silane
CID 13610767
tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane
CID 14133375

Frequently Asked Questions

What is the IUPAC name of 3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane?
The IUPAC name of 3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane (CID 139253748) is 3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane is Cc1ccc([S@](=O)C(=CCO[Si](C)(C)C(C)(C)C)[S@@](=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane?
The InChIKey is MSYGZPHSLDCMDZ-NSOVKSMOSA-N. The full InChI is InChI=1S/C23H32O3S2Si/c1-18-8-12-20(13-9-18)27(24)22(16-17-26-29(6,7)23(3,4)5)28(25)21-14-10-19(2)11-15-21/h8-16H,17H2,1-7H3/t27-,28-/m0/s1.
What are the key properties of 3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane?
3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane has a molecular weight of 448.73 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[(S)-(4-methylphenyl)sulfinyl]prop-2-enoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 139253748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).