3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane

C25H48B2Si — CID 14973651

IUPAC3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane
SMILESCC[Si](CC)(CC)CCC(B1C2CCCC1CCC2)B1C2CCCC1CCC2
InChIInChI=1S/C25H48B2Si/c1-4-28(5-2,6-3)20-19-25(26-21-11-7-12-22(26)14-8-13-21)27-23-15-9-16-24(27)18-10-17-23/h21-25H,4-20H2,1-3H3
InChIKeyIWVMUKXZMATSFM-UHFFFAOYSA-N
MW398.37 g/mol
LogP9.00
Rot. Bonds8

About 3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane

3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane (PubChem CID 14973651) has the molecular formula C25H48B2Si and a molecular weight of 398.37 g/mol. Its IUPAC name is 3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane.

Molecular Properties

Compound Name3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane
PubChem CID14973651
Molecular FormulaC25H48B2Si
Molecular Weight398.37 g/mol
Exact Mass398.37
IUPAC Name3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane
SMILESCC[Si](CC)(CC)CCC(B1C2CCCC1CCC2)B1C2CCCC1CCC2
InChIInChI=1S/C25H48B2Si/c1-4-28(5-2,6-3)20-19-25(26-21-11-7-12-22(26)14-8-13-21)27-23-15-9-16-24(27)18-10-17-23/h21-25H,4-20H2,1-3H3
InChIKeyIWVMUKXZMATSFM-UHFFFAOYSA-N
XLogP9.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.37
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane?
The IUPAC name of 3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane (CID 14973651) is 3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane.
What is the SMILES notation for 3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane?
The canonical SMILES for 3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane is CC[Si](CC)(CC)CCC(B1C2CCCC1CCC2)B1C2CCCC1CCC2.
What is the InChIKey of 3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane?
The InChIKey is IWVMUKXZMATSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48B2Si/c1-4-28(5-2,6-3)20-19-25(26-21-11-7-12-22(26)14-8-13-21)27-23-15-9-16-24(27)18-10-17-23/h21-25H,4-20H2,1-3H3.
What are the key properties of 3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane?
3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane has a molecular weight of 398.37 g/mol, XLogP of 9.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane is sourced from PubChem (CID 14973651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).