bis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane

C22H49O3PSSi — CID 23418001

IUPACbis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane
SMILESCCCC[Si](CCCC)(CCCC)OP(=S)(OCC(C)(C)C)OCC(C)(C)C
InChIInChI=1S/C22H49O3PSSi/c1-10-13-16-28(17-14-11-2,18-15-12-3)25-26(27,23-19-21(4,5)6)24-20-22(7,8)9/h10-20H2,1-9H3
InChIKeyGANOPCZWTXFTKN-UHFFFAOYSA-N
MW452.76 g/mol
LogP8.70
Rot. Bonds15

About bis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane

bis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane (PubChem CID 23418001) has the molecular formula C22H49O3PSSi and a molecular weight of 452.76 g/mol. Its IUPAC name is bis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane.

Molecular Properties

Compound Namebis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane
PubChem CID23418001
Molecular FormulaC22H49O3PSSi
Molecular Weight452.76 g/mol
Exact Mass452.29
IUPAC Namebis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane
SMILESCCCC[Si](CCCC)(CCCC)OP(=S)(OCC(C)(C)C)OCC(C)(C)C
InChIInChI=1S/C22H49O3PSSi/c1-10-13-16-28(17-14-11-2,18-15-12-3)25-26(27,23-19-21(4,5)6)24-20-22(7,8)9/h10-20H2,1-9H3
InChIKeyGANOPCZWTXFTKN-UHFFFAOYSA-N
XLogP8.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.76
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane?
The IUPAC name of bis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane (CID 23418001) is bis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane.
What is the SMILES notation for bis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane?
The canonical SMILES for bis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane is CCCC[Si](CCCC)(CCCC)OP(=S)(OCC(C)(C)C)OCC(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane?
The InChIKey is GANOPCZWTXFTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49O3PSSi/c1-10-13-16-28(17-14-11-2,18-15-12-3)25-26(27,23-19-21(4,5)6)24-20-22(7,8)9/h10-20H2,1-9H3.
What are the key properties of bis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane?
bis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane has a molecular weight of 452.76 g/mol, XLogP of 8.70, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropoxy)-sulfanylidene-tributylsilyloxy-λ5-phosphane is sourced from PubChem (CID 23418001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).