tert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane

C24H34O2SSi — CID 176886403

IUPACtert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane
SMILESCS(=O)CC1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C24H34O2SSi/c1-24(2,3)28(22-11-7-5-8-12-22,23-13-9-6-10-14-23)26-21-17-15-20(16-18-21)19-27(4)25/h5-14,20-21H,15-19H2,1-4H3
InChIKeyVCMZHIDAQKCMTP-UHFFFAOYSA-N
MW414.69 g/mol
LogP4.50
Rot. Bonds6

About tert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane

tert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane (PubChem CID 176886403) has the molecular formula C24H34O2SSi and a molecular weight of 414.69 g/mol. Its IUPAC name is tert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane
PubChem CID176886403
Molecular FormulaC24H34O2SSi
Molecular Weight414.69 g/mol
Exact Mass414.20
IUPAC Nametert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane
SMILESCS(=O)CC1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C24H34O2SSi/c1-24(2,3)28(22-11-7-5-8-12-22,23-13-9-6-10-14-23)26-21-17-15-20(16-18-21)19-27(4)25/h5-14,20-21H,15-19H2,1-4H3
InChIKeyVCMZHIDAQKCMTP-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.69
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane (CID 176886403) is tert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane is CS(=O)CC1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane?
The InChIKey is VCMZHIDAQKCMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2SSi/c1-24(2,3)28(22-11-7-5-8-12-22,23-13-9-6-10-14-23)26-21-17-15-20(16-18-21)19-27(4)25/h5-14,20-21H,15-19H2,1-4H3.
What are the key properties of tert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane?
tert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane has a molecular weight of 414.69 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane is sourced from PubChem (CID 176886403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).