diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

C35H59O7PSi2 — CID 160966529

IUPACdiphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCCO[Si](CCC1CCC2OC2C1)(OCC)OCC.CCO[Si](CCCP(c1ccccc1)c1ccccc1)(OCC)OCC
InChIInChI=1S/C21H31O3PSi.C14H28O4Si/c1-4-22-26(23-5-2,24-6-3)19-13-18-25(20-14-9-7-10-15-20)21-16-11-8-12-17-21;1-4-15-19(16-5-2,17-6-3)10-9-12-7-8-13-14(11-12)18-13/h7-12,14-17H,4-6,13,18-19H2,1-3H3;12-14H,4-11H2,1-3H3
InChIKeySXRUGOFUONJEDW-UHFFFAOYSA-N
MW679.00 g/mol
LogP7.55
Rot. Bonds21

About diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (PubChem CID 160966529) has the molecular formula C35H59O7PSi2 and a molecular weight of 679.00 g/mol. Its IUPAC name is diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

Molecular Properties

Compound Namediphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
PubChem CID160966529
Molecular FormulaC35H59O7PSi2
Molecular Weight679.00 g/mol
Exact Mass678.35
IUPAC Namediphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCCO[Si](CCC1CCC2OC2C1)(OCC)OCC.CCO[Si](CCCP(c1ccccc1)c1ccccc1)(OCC)OCC
InChIInChI=1S/C21H31O3PSi.C14H28O4Si/c1-4-22-26(23-5-2,24-6-3)19-13-18-25(20-14-9-7-10-15-20)21-16-11-8-12-17-21;1-4-15-19(16-5-2,17-6-3)10-9-12-7-8-13-14(11-12)18-13/h7-12,14-17H,4-6,13,18-19H2,1-3H3;12-14H,4-11H2,1-3H3
InChIKeySXRUGOFUONJEDW-UHFFFAOYSA-N
XLogP7.55
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.00
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Trimethoxy(methyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane
CID 170852723
3-(2-Diphenylphosphorylethyl)-7-oxabicyclo[4.1.0]heptane
CID 89400452
Trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane
CID 160925202
Methyl-bis[2-(7-oxabicyclo[4.1.0]hept-3-YL)ethyl]phenylsilane
CID 23496350
[4-[Dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane
CID 162446230
1,4-Bis[2-(3,4-epoxycyclohexylethyl)dimethylsilyl]benzene
CID 133064975
Dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane
CID 19907508
Diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane
CID 21885228
Tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane
CID 23496348
Dimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane
CID 23529575
Methyl-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]oxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane
CID 57832249
Dimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane
CID 58372468

Frequently Asked Questions

What is the IUPAC name of diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The IUPAC name of diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (CID 160966529) is diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.
What is the SMILES notation for diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The canonical SMILES for diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is CCO[Si](CCC1CCC2OC2C1)(OCC)OCC.CCO[Si](CCCP(c1ccccc1)c1ccccc1)(OCC)OCC.
What is the InChIKey of diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The InChIKey is SXRUGOFUONJEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31O3PSi.C14H28O4Si/c1-4-22-26(23-5-2,24-6-3)19-13-18-25(20-14-9-7-10-15-20)21-16-11-8-12-17-21;1-4-15-19(16-5-2,17-6-3)10-9-12-7-8-13-14(11-12)18-13/h7-12,14-17H,4-6,13,18-19H2,1-3H3;12-14H,4-11H2,1-3H3.
What are the key properties of diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane has a molecular weight of 679.00 g/mol, XLogP of 7.55, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is sourced from PubChem (CID 160966529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).