dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane

C23H32O2SSi — CID 135057520

IUPACdimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane
SMILESCCCCCC/C(=C/S(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H32O2SSi/c1-5-6-7-9-14-23(27(3,4)22-12-10-8-11-13-22)19-26(24,25)21-17-15-20(2)16-18-21/h8,10-13,15-19H,5-7,9,14H2,1-4H3/b23-19-
InChIKeyHXXQXWHFDMIZFY-NMWGTECJSA-N
MW400.66 g/mol
LogP5.78
Rot. Bonds9

About dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane

dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane (PubChem CID 135057520) has the molecular formula C23H32O2SSi and a molecular weight of 400.66 g/mol. Its IUPAC name is dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane
PubChem CID135057520
Molecular FormulaC23H32O2SSi
Molecular Weight400.66 g/mol
Exact Mass400.19
IUPAC Namedimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane
SMILESCCCCCC/C(=C/S(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H32O2SSi/c1-5-6-7-9-14-23(27(3,4)22-12-10-8-11-13-22)19-26(24,25)21-17-15-20(2)16-18-21/h8,10-13,15-19H,5-7,9,14H2,1-4H3/b23-19-
InChIKeyHXXQXWHFDMIZFY-NMWGTECJSA-N
XLogP5.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.66
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(2,2-dichloroethenylsulfonyl)-4-methylbenzene
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4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide
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[(4-methylphenyl)-diphenyl-λ4-sulfanyl] octane-1-sulfonate
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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane?
The IUPAC name of dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane (CID 135057520) is dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane.
What is the SMILES notation for dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane?
The canonical SMILES for dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane is CCCCCC/C(=C/S(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane?
The InChIKey is HXXQXWHFDMIZFY-NMWGTECJSA-N. The full InChI is InChI=1S/C23H32O2SSi/c1-5-6-7-9-14-23(27(3,4)22-12-10-8-11-13-22)19-26(24,25)21-17-15-20(2)16-18-21/h8,10-13,15-19H,5-7,9,14H2,1-4H3/b23-19-.
What are the key properties of dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane?
dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane has a molecular weight of 400.66 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane is sourced from PubChem (CID 135057520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).