[7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane

C36H62Si6 — CID 101074189

About [7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane

[7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane (PubChem CID 101074189) has the molecular formula C36H62Si6 and a molecular weight of 663.41 g/mol. Its IUPAC name is [7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane.

Molecular Properties

• Compound Name: [7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane
• PubChem CID: 101074189
• Molecular Formula: C36H62Si6
• Molecular Weight: 663.41 g/mol
• Exact Mass: 662.35
• IUPAC Name: [7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane
• SMILES: C[Si](C)(c1ccccc1)[Si]12CCCCC[Si]1([Si]13CCCCC[Si]1([Si](C)(C)c1ccccc1)CCCCC3)CCCCC2
• InChI: InChI=1S/C36H62Si6/c1-37(2,35-23-11-5-12-24-35)39-27-15-7-19-31-41(39,32-20-8-16-28-39)42-33-21-9-17-29-40(42,30-18-10-22-34-42)38(3,4)36-25-13-6-14-26-36/h5-6,11-14,23-26H,7-10,15-22,27-34H2,1-4H3
• InChIKey: ZONPKRKSDNLSEK-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.41
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane?

The IUPAC name of [7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane (CID 101074189) is [7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane.

What is the SMILES notation for [7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane?

The canonical SMILES for [7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)[Si]12CCCCC[Si]1([Si]13CCCCC[Si]1([Si](C)(C)c1ccccc1)CCCCC3)CCCCC2.

What is the InChIKey of [7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane?

The InChIKey is ZONPKRKSDNLSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62Si6/c1-37(2,35-23-11-5-12-24-35)39-27-15-7-19-31-41(39,32-20-8-16-28-39)42-33-21-9-17-29-40(42,30-18-10-22-34-42)38(3,4)36-25-13-6-14-26-36/h5-6,11-14,23-26H,7-10,15-22,27-34H2,1-4H3.

What are the key properties of [7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane?

[7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane has a molecular weight of 663.41 g/mol, XLogP of 10.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[7-[dimethyl(phenyl)silyl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-1,7-disilabicyclo[5.5.0]dodecan-1-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 101074189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).