dimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane

C17H40O2SSi2 — CID 155643962

IUPACdimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane
SMILESCCCCCCCCCC(CS(=O)CC)[Si](C)(C)O[SiH](C)C
InChIInChI=1S/C17H40O2SSi2/c1-7-9-10-11-12-13-14-15-17(16-20(18)8-2)22(5,6)19-21(3)4/h17,21H,7-16H2,1-6H3
InChIKeyXPXBVAISIZGPMN-UHFFFAOYSA-N
MW364.74 g/mol
LogP5.47
Rot. Bonds14

About dimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane

dimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane (PubChem CID 155643962) has the molecular formula C17H40O2SSi2 and a molecular weight of 364.74 g/mol. Its IUPAC name is dimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane.

Molecular Properties

Compound Namedimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane
PubChem CID155643962
Molecular FormulaC17H40O2SSi2
Molecular Weight364.74 g/mol
Exact Mass364.23
IUPAC Namedimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane
SMILESCCCCCCCCCC(CS(=O)CC)[Si](C)(C)O[SiH](C)C
InChIInChI=1S/C17H40O2SSi2/c1-7-9-10-11-12-13-14-15-17(16-20(18)8-2)22(5,6)19-21(3)4/h17,21H,7-16H2,1-6H3
InChIKeyXPXBVAISIZGPMN-UHFFFAOYSA-N
XLogP5.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.74
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane?
The IUPAC name of dimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane (CID 155643962) is dimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane.
What is the SMILES notation for dimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane?
The canonical SMILES for dimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane is CCCCCCCCCC(CS(=O)CC)[Si](C)(C)O[SiH](C)C.
What is the InChIKey of dimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane?
The InChIKey is XPXBVAISIZGPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40O2SSi2/c1-7-9-10-11-12-13-14-15-17(16-20(18)8-2)22(5,6)19-21(3)4/h17,21H,7-16H2,1-6H3.
What are the key properties of dimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane?
dimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane has a molecular weight of 364.74 g/mol, XLogP of 5.47, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilyloxy-(1-ethylsulfinylundecan-2-yl)-dimethylsilane is sourced from PubChem (CID 155643962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).