[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane

C31H66O8Si5 — CID 123270438

IUPAC[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane
SMILESCCO[Si](CC[Si](C)(O[Si](C)(C)CCCC1CCC2OC2C1)O[Si](C)(C)O[SiH2]CCCC1CCC2OC2C1)(OCC)OCC
InChIInChI=1S/C31H66O8Si5/c1-9-32-44(33-10-2,34-11-3)23-22-43(8,38-41(4,5)21-13-15-27-17-19-29-31(25-27)36-29)39-42(6,7)37-40-20-12-14-26-16-18-28-30(24-26)35-28/h26-31H,9-25,40H2,1-8H3
InChIKeyNENGKASEIBBKOS-UHFFFAOYSA-N
MW707.29 g/mol
LogP7.26
Rot. Bonds23

About [dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane

[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane (PubChem CID 123270438) has the molecular formula C31H66O8Si5 and a molecular weight of 707.29 g/mol. Its IUPAC name is [dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane.

Molecular Properties

Compound Name[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane
PubChem CID123270438
Molecular FormulaC31H66O8Si5
Molecular Weight707.29 g/mol
Exact Mass706.36
IUPAC Name[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane
SMILESCCO[Si](CC[Si](C)(O[Si](C)(C)CCCC1CCC2OC2C1)O[Si](C)(C)O[SiH2]CCCC1CCC2OC2C1)(OCC)OCC
InChIInChI=1S/C31H66O8Si5/c1-9-32-44(33-10-2,34-11-3)23-22-43(8,38-41(4,5)21-13-15-27-17-19-29-31(25-27)36-29)39-42(6,7)37-40-20-12-14-26-16-18-28-30(24-26)35-28/h26-31H,9-25,40H2,1-8H3
InChIKeyNENGKASEIBBKOS-UHFFFAOYSA-N
XLogP7.26
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.29
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane?
The IUPAC name of [dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane (CID 123270438) is [dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane.
What is the SMILES notation for [dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane?
The canonical SMILES for [dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane is CCO[Si](CC[Si](C)(O[Si](C)(C)CCCC1CCC2OC2C1)O[Si](C)(C)O[SiH2]CCCC1CCC2OC2C1)(OCC)OCC.
What is the InChIKey of [dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane?
The InChIKey is NENGKASEIBBKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H66O8Si5/c1-9-32-44(33-10-2,34-11-3)23-22-43(8,38-41(4,5)21-13-15-27-17-19-29-31(25-27)36-29)39-42(6,7)37-40-20-12-14-26-16-18-28-30(24-26)35-28/h26-31H,9-25,40H2,1-8H3.
What are the key properties of [dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane?
[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane has a molecular weight of 707.29 g/mol, XLogP of 7.26, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]silyl]oxy-[dimethyl-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propylsilyloxy]silyl]oxy-methyl-(2-triethoxysilylethyl)silane is sourced from PubChem (CID 123270438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).