hydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane

C20H29O4PSi — CID 175353816

IUPAChydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane
SMILESCCO[Si](CC=P(O)(c1ccccc1)c1ccccc1)(OCC)OCC
InChIInChI=1S/C20H29O4PSi/c1-4-22-26(23-5-2,24-6-3)18-17-25(21,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-17,21H,4-6,18H2,1-3H3
InChIKeyAFWLCGCVKGTLBU-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.41
Rot. Bonds10

About hydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane

hydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane (PubChem CID 175353816) has the molecular formula C20H29O4PSi and a molecular weight of 392.51 g/mol. Its IUPAC name is hydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane
PubChem CID175353816
Molecular FormulaC20H29O4PSi
Molecular Weight392.51 g/mol
Exact Mass392.16
IUPAC Namehydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane
SMILESCCO[Si](CC=P(O)(c1ccccc1)c1ccccc1)(OCC)OCC
InChIInChI=1S/C20H29O4PSi/c1-4-22-26(23-5-2,24-6-3)18-17-25(21,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-17,21H,4-6,18H2,1-3H3
InChIKeyAFWLCGCVKGTLBU-UHFFFAOYSA-N
XLogP3.41
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
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 hydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane?
The IUPAC name of hydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane (CID 175353816) is hydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane.
What is the SMILES notation for hydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane?
The canonical SMILES for hydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane is CCO[Si](CC=P(O)(c1ccccc1)c1ccccc1)(OCC)OCC.
What is the InChIKey of hydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane?
The InChIKey is AFWLCGCVKGTLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29O4PSi/c1-4-22-26(23-5-2,24-6-3)18-17-25(21,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-17,21H,4-6,18H2,1-3H3.
What are the key properties of hydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane?
hydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane has a molecular weight of 392.51 g/mol, XLogP of 3.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-diphenyl-(2-triethoxysilylethylidene)-λ5-phosphane is sourced from PubChem (CID 175353816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).