[3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane

C18H28O3SSi — CID 15414681

IUPAC[3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC(S(=O)(=O)c2ccccc2)CCC1
InChIInChI=1S/C18H28O3SSi/c1-18(2,3)23(4,5)21-15-10-9-13-17(14-15)22(19,20)16-11-7-6-8-12-16/h6-8,11-12,14,17H,9-10,13H2,1-5H3
InChIKeyFJRRCDKRPJSZKG-UHFFFAOYSA-N
MW352.57 g/mol
LogP4.92
Rot. Bonds4

About [3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane

[3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 15414681) has the molecular formula C18H28O3SSi and a molecular weight of 352.57 g/mol. Its IUPAC name is [3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID15414681
Molecular FormulaC18H28O3SSi
Molecular Weight352.57 g/mol
Exact Mass352.15
IUPAC Name[3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC(S(=O)(=O)c2ccccc2)CCC1
InChIInChI=1S/C18H28O3SSi/c1-18(2,3)23(4,5)21-15-10-9-13-17(14-15)22(19,20)16-11-7-6-8-12-16/h6-8,11-12,14,17H,9-10,13H2,1-5H3
InChIKeyFJRRCDKRPJSZKG-UHFFFAOYSA-N
XLogP4.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane (CID 15414681) is [3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=CC(S(=O)(=O)c2ccccc2)CCC1.
What is the InChIKey of [3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is FJRRCDKRPJSZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3SSi/c1-18(2,3)23(4,5)21-15-10-9-13-17(14-15)22(19,20)16-11-7-6-8-12-16/h6-8,11-12,14,17H,9-10,13H2,1-5H3.
What are the key properties of [3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane?
[3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 352.57 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)cyclohexen-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 15414681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).