cyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate

C17H25ClO2SSi — CID 10784522

IUPACcyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate
SMILESC[Si](C)(C)/C(=C(/Cl)c1ccccc1)S(=O)OC1CCCCC1
InChIInChI=1S/C17H25ClO2SSi/c1-22(2,3)17(16(18)14-10-6-4-7-11-14)21(19)20-15-12-8-5-9-13-15/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3/b17-16+
InChIKeyBVLYNYYCEUFIIM-WUKNDPDISA-N
MW356.99 g/mol
LogP5.48
Rot. Bonds5

About cyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate

cyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate (PubChem CID 10784522) has the molecular formula C17H25ClO2SSi and a molecular weight of 356.99 g/mol. Its IUPAC name is cyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate.

Molecular Properties

Compound Namecyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate
PubChem CID10784522
Molecular FormulaC17H25ClO2SSi
Molecular Weight356.99 g/mol
Exact Mass356.10
IUPAC Namecyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate
SMILESC[Si](C)(C)/C(=C(/Cl)c1ccccc1)S(=O)OC1CCCCC1
InChIInChI=1S/C17H25ClO2SSi/c1-22(2,3)17(16(18)14-10-6-4-7-11-14)21(19)20-15-12-8-5-9-13-15/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3/b17-16+
InChIKeyBVLYNYYCEUFIIM-WUKNDPDISA-N
XLogP5.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.99
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-(cyclopentylmethylsulfinyl)-1-phenylethanone
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[(1S,2S,3R)-2-cyclohexyl-3-methylcyclopropyl]-phenylmethanone
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Frequently Asked Questions

What is the IUPAC name of cyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate?
The IUPAC name of cyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate (CID 10784522) is cyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate.
What is the SMILES notation for cyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate?
The canonical SMILES for cyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate is C[Si](C)(C)/C(=C(/Cl)c1ccccc1)S(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate?
The InChIKey is BVLYNYYCEUFIIM-WUKNDPDISA-N. The full InChI is InChI=1S/C17H25ClO2SSi/c1-22(2,3)17(16(18)14-10-6-4-7-11-14)21(19)20-15-12-8-5-9-13-15/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3/b17-16+.
What are the key properties of cyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate?
cyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate has a molecular weight of 356.99 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (Z)-2-chloro-2-phenyl-1-trimethylsilylethenesulfinate is sourced from PubChem (CID 10784522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).