bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane

C24H46B2Si — CID 86230175

IUPACbis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane
SMILESCC[Si](CC)(CCB1C2CCCC1CCC2)CCB1C2CCCC1CCC2
InChIInChI=1S/C24H46B2Si/c1-3-27(4-2,19-17-25-21-9-5-10-22(25)12-6-11-21)20-18-26-23-13-7-14-24(26)16-8-15-23/h21-24H,3-20H2,1-2H3
InChIKeyKEILPMAMFIRSQL-UHFFFAOYSA-N
MW384.34 g/mol
LogP8.68
Rot. Bonds8

About bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane

bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane (PubChem CID 86230175) has the molecular formula C24H46B2Si and a molecular weight of 384.34 g/mol. Its IUPAC name is bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane.

Molecular Properties

Compound Namebis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane
PubChem CID86230175
Molecular FormulaC24H46B2Si
Molecular Weight384.34 g/mol
Exact Mass384.36
IUPAC Namebis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane
SMILESCC[Si](CC)(CCB1C2CCCC1CCC2)CCB1C2CCCC1CCC2
InChIInChI=1S/C24H46B2Si/c1-3-27(4-2,19-17-25-21-9-5-10-22(25)12-6-11-21)20-18-26-23-13-7-14-24(26)16-8-15-23/h21-24H,3-20H2,1-2H3
InChIKeyKEILPMAMFIRSQL-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.34
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-bis(9-borabicyclo[3.3.1]nonan-9-yl)propyl-triethylsilane
CID 14973651
9-[10-(9-borabicyclo[3.3.1]nonan-9-yl)decyl]-9-borabicyclo[3.3.1]nonane
CID 578804
CID 20591149
CID 20591149
2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide
CID 134963998
9-(5-bromopentyl)-9-borabicyclo[3.3.1]nonane
CID 11173283
2-[4-[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]phenyl]-N,N-dimethylethanamine
CID 101143829
9-pent-4-enyl-9-borabicyclo[3.3.1]nonane
CID 68718251
methyl 5-(9-borabicyclo[3.3.1]nonan-9-yl)pentanoate
CID 101226405
N,N-dipropylcyclodecanamine
CID 139723962
2-methylpropyl 4-(9-borabicyclo[3.3.1]nonan-9-yl)butanoate
CID 21339495
9-[3-(4-iodophenyl)propyl]-9-borabicyclo[3.3.1]nonane
CID 135071272
9-[3-(3,4-dimethoxyphenyl)propyl]-9-borabicyclo[3.3.1]nonane
CID 14172418

Frequently Asked Questions

What is the IUPAC name of bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane?
The IUPAC name of bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane (CID 86230175) is bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane.
What is the SMILES notation for bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane?
The canonical SMILES for bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane is CC[Si](CC)(CCB1C2CCCC1CCC2)CCB1C2CCCC1CCC2.
What is the InChIKey of bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane?
The InChIKey is KEILPMAMFIRSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46B2Si/c1-3-27(4-2,19-17-25-21-9-5-10-22(25)12-6-11-21)20-18-26-23-13-7-14-24(26)16-8-15-23/h21-24H,3-20H2,1-2H3.
What are the key properties of bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane?
bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane has a molecular weight of 384.34 g/mol, XLogP of 8.68, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl]-diethylsilane is sourced from PubChem (CID 86230175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).