diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

C29H50O6Si2 — CID 160590157

About diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (PubChem CID 160590157) has the molecular formula C29H50O6Si2 and a molecular weight of 550.89 g/mol. Its IUPAC name is diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

Molecular Properties

• Compound Name: diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
• PubChem CID: 160590157
• Molecular Formula: C29H50O6Si2
• Molecular Weight: 550.89 g/mol
• Exact Mass: 550.31
• IUPAC Name: diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
• SMILES: CCO[Si](CCC1CCC2OC2C1)(OCC)c1ccccc1.CO[Si](C)(CCC1CCC2OC2C1)OC
• InChI: InChI=1S/C18H28O3Si.C11H22O3Si/c1-3-19-22(20-4-2,16-8-6-5-7-9-16)13-12-15-10-11-17-18(14-15)21-17;1-12-15(3,13-2)7-6-9-4-5-10-11(8-9)14-10/h5-9,15,17-18H,3-4,10-14H2,1-2H3;9-11H,4-8H2,1-3H3
• InChIKey: RCXGBIZGILEWIW-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 61.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.89
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?

The IUPAC name of diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (CID 160590157) is diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

What is the SMILES notation for diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?

The canonical SMILES for diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is CCO[Si](CCC1CCC2OC2C1)(OCC)c1ccccc1.CO[Si](C)(CCC1CCC2OC2C1)OC.

What is the InChIKey of diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?

The InChIKey is RCXGBIZGILEWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3Si.C11H22O3Si/c1-3-19-22(20-4-2,16-8-6-5-7-9-16)13-12-15-10-11-17-18(14-15)21-17;1-12-15(3,13-2)7-6-9-4-5-10-11(8-9)14-10/h5-9,15,17-18H,3-4,10-14H2,1-2H3;9-11H,4-8H2,1-3H3.

What are the key properties of diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?

diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane has a molecular weight of 550.89 g/mol, XLogP of 5.68, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is sourced from PubChem (CID 160590157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).