3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane

C18H30O4SSi — CID 134935125

IUPAC3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane
SMILESCC(CCO[Si](C)(C)C(C)(C)C)O/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H30O4SSi/c1-16(12-13-22-24(5,6)18(2,3)4)21-14-15-23(19,20)17-10-8-7-9-11-17/h7-11,14-16H,12-13H2,1-6H3/b15-14+
InChIKeyAIJNHEBJNIUZTC-CCEZHUSRSA-N
MW370.59 g/mol
LogP4.75
Rot. Bonds8

About 3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane

3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane (PubChem CID 134935125) has the molecular formula C18H30O4SSi and a molecular weight of 370.59 g/mol. Its IUPAC name is 3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane
PubChem CID134935125
Molecular FormulaC18H30O4SSi
Molecular Weight370.59 g/mol
Exact Mass370.16
IUPAC Name3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane
SMILESCC(CCO[Si](C)(C)C(C)(C)C)O/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H30O4SSi/c1-16(12-13-22-24(5,6)18(2,3)4)21-14-15-23(19,20)17-10-8-7-9-11-17/h7-11,14-16H,12-13H2,1-6H3/b15-14+
InChIKeyAIJNHEBJNIUZTC-CCEZHUSRSA-N
XLogP4.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane?
The IUPAC name of 3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane (CID 134935125) is 3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane is CC(CCO[Si](C)(C)C(C)(C)C)O/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane?
The InChIKey is AIJNHEBJNIUZTC-CCEZHUSRSA-N. The full InChI is InChI=1S/C18H30O4SSi/c1-16(12-13-22-24(5,6)18(2,3)4)21-14-15-23(19,20)17-10-8-7-9-11-17/h7-11,14-16H,12-13H2,1-6H3/b15-14+.
What are the key properties of 3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane?
3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane has a molecular weight of 370.59 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134935125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).