11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane

C24H50O4SSi4 — CID 170541726

IUPAC11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane
SMILESC[SiH](C)O[Si](CCCCCCCCCCCS(=O)Cc1ccccc1)(O[SiH](C)C)O[SiH](C)C
InChIInChI=1S/C24H50O4SSi4/c1-30(2)26-33(27-31(3)4,28-32(5)6)22-18-13-11-9-7-8-10-12-17-21-29(25)23-24-19-15-14-16-20-24/h14-16,19-20,30-32H,7-13,17-18,21-23H2,1-6H3
InChIKeyOXNDHKPDAQEBAP-UHFFFAOYSA-N
MW547.07 g/mol
LogP6.39
Rot. Bonds20

About 11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane

11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane (PubChem CID 170541726) has the molecular formula C24H50O4SSi4 and a molecular weight of 547.07 g/mol. Its IUPAC name is 11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane.

Molecular Properties

Compound Name11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane
PubChem CID170541726
Molecular FormulaC24H50O4SSi4
Molecular Weight547.07 g/mol
Exact Mass546.25
IUPAC Name11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane
SMILESC[SiH](C)O[Si](CCCCCCCCCCCS(=O)Cc1ccccc1)(O[SiH](C)C)O[SiH](C)C
InChIInChI=1S/C24H50O4SSi4/c1-30(2)26-33(27-31(3)4,28-32(5)6)22-18-13-11-9-7-8-10-12-17-21-29(25)23-24-19-15-14-16-20-24/h14-16,19-20,30-32H,7-13,17-18,21-23H2,1-6H3
InChIKeyOXNDHKPDAQEBAP-UHFFFAOYSA-N
XLogP6.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.07
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane?
The IUPAC name of 11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane (CID 170541726) is 11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane.
What is the SMILES notation for 11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane?
The canonical SMILES for 11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane is C[SiH](C)O[Si](CCCCCCCCCCCS(=O)Cc1ccccc1)(O[SiH](C)C)O[SiH](C)C.
What is the InChIKey of 11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane?
The InChIKey is OXNDHKPDAQEBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O4SSi4/c1-30(2)26-33(27-31(3)4,28-32(5)6)22-18-13-11-9-7-8-10-12-17-21-29(25)23-24-19-15-14-16-20-24/h14-16,19-20,30-32H,7-13,17-18,21-23H2,1-6H3.
What are the key properties of 11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane?
11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane has a molecular weight of 547.07 g/mol, XLogP of 6.39, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane is sourced from PubChem (CID 170541726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).