[8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane

C27H56O3Si2 — CID 59938343

About [8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane

[8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane (PubChem CID 59938343) has the molecular formula C27H56O3Si2 and a molecular weight of 484.91 g/mol. Its IUPAC name is [8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane
• PubChem CID: 59938343
• Molecular Formula: C27H56O3Si2
• Molecular Weight: 484.91 g/mol
• Exact Mass: 484.38
• IUPAC Name: [8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane
• SMILES: CCCC(C)(CC(C)(CCC1CCC2OC2C1)CC(C)(C[Si](C)(C)C)OC)O[Si](C)(C)C
• InChI: InChI=1S/C27H56O3Si2/c1-12-16-26(3,30-32(9,10)11)19-25(2,20-27(4,28-5)21-31(6,7)8)17-15-22-13-14-23-24(18-22)29-23/h22-24H,12-21H2,1-11H3
• InChIKey: OEFGVYVEIZXPFK-UHFFFAOYSA-N
• XLogP: 8.27
• TPSA: 30.99 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.91
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 [8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane?

The IUPAC name of [8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane (CID 59938343) is [8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane.

What is the SMILES notation for [8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane?

The canonical SMILES for [8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane is CCCC(C)(CC(C)(CCC1CCC2OC2C1)CC(C)(C[Si](C)(C)C)OC)O[Si](C)(C)C.

What is the InChIKey of [8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane?

The InChIKey is OEFGVYVEIZXPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O3Si2/c1-12-16-26(3,30-32(9,10)11)19-25(2,20-27(4,28-5)21-31(6,7)8)17-15-22-13-14-23-24(18-22)29-23/h22-24H,12-21H2,1-11H3.

What are the key properties of [8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane?

[8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane has a molecular weight of 484.91 g/mol, XLogP of 8.27, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [8-methoxy-4,6,8-trimethyl-6-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-9-trimethylsilylnonan-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 59938343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).