tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane

C27H54O2Si2 — CID 162415650

About tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane

tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane (PubChem CID 162415650) has the molecular formula C27H54O2Si2 and a molecular weight of 466.90 g/mol. Its IUPAC name is tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane
• PubChem CID: 162415650
• Molecular Formula: C27H54O2Si2
• Molecular Weight: 466.90 g/mol
• Exact Mass: 466.37
• IUPAC Name: tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane
• SMILES: CC(C)[Si](OCC1C2C=CC(C2)C1CO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C27H54O2Si2/c1-18(2)30(19(3)4,20(5)6)28-16-26-24-13-14-25(15-24)27(26)17-29-31(21(7)8,22(9)10)23(11)12/h13-14,18-27H,15-17H2,1-12H3
• InChIKey: LVKCUPVKPMUAJD-UHFFFAOYSA-N
• XLogP: 8.81
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.90
LogP ≤ 5	8.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane?

The IUPAC name of tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane (CID 162415650) is tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane.

What is the SMILES notation for tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane?

The canonical SMILES for tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane is CC(C)[Si](OCC1C2C=CC(C2)C1CO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane?

The InChIKey is LVKCUPVKPMUAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O2Si2/c1-18(2)30(19(3)4,20(5)6)28-16-26-24-13-14-25(15-24)27(26)17-29-31(21(7)8,22(9)10)23(11)12/h13-14,18-27H,15-17H2,1-12H3.

What are the key properties of tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane?

tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane has a molecular weight of 466.90 g/mol, XLogP of 8.81, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane is sourced from PubChem (CID 162415650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).