methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane

C18H36O2Si — CID 91560243

About methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane

methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane (PubChem CID 91560243) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane.

Molecular Properties

• Compound Name: methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane
• PubChem CID: 91560243
• Molecular Formula: C18H36O2Si
• Molecular Weight: 312.57 g/mol
• Exact Mass: 312.25
• IUPAC Name: methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane
• SMILES: CCC(C)(CC)[Si](CCC1CCC2OC2C1)(OC)C(C)C
• InChI: InChI=1S/C18H36O2Si/c1-7-18(5,8-2)21(19-6,14(3)4)12-11-15-9-10-16-17(13-15)20-16/h14-17H,7-13H2,1-6H3
• InChIKey: MDKNKMGYMDXRML-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	312.57
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane?

The IUPAC name of methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane (CID 91560243) is methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane.

What is the SMILES notation for methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane?

The canonical SMILES for methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane is CCC(C)(CC)[Si](CCC1CCC2OC2C1)(OC)C(C)C.

What is the InChIKey of methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane?

The InChIKey is MDKNKMGYMDXRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-18(5,8-2)21(19-6,14(3)4)12-11-15-9-10-16-17(13-15)20-16/h14-17H,7-13H2,1-6H3.

What are the key properties of methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane?

methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane has a molecular weight of 312.57 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for methoxy-(3-methylpentan-3-yl)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-propan-2-ylsilane is sourced from PubChem (CID 91560243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).