2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane

C14H29BSi — CID 12664965

IUPAC2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane
SMILESCC(C[Si](C)(C)C)B1C2CCCC1CCC2
InChIInChI=1S/C14H29BSi/c1-12(11-16(2,3)4)15-13-7-5-8-14(15)10-6-9-13/h12-14H,5-11H2,1-4H3
InChIKeyXZISORJVDNVERG-UHFFFAOYSA-N
MW236.28 g/mol
LogP5.32
Rot. Bonds3

About 2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane

2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane (PubChem CID 12664965) has the molecular formula C14H29BSi and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane.

Molecular Properties

Compound Name2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane
PubChem CID12664965
Molecular FormulaC14H29BSi
Molecular Weight236.28 g/mol
Exact Mass236.21
IUPAC Name2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane
SMILESCC(C[Si](C)(C)C)B1C2CCCC1CCC2
InChIInChI=1S/C14H29BSi/c1-12(11-16(2,3)4)15-13-7-5-8-14(15)10-6-9-13/h12-14H,5-11H2,1-4H3
InChIKeyXZISORJVDNVERG-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.28
LogP ≤ 55.32
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 2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane?
The IUPAC name of 2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane (CID 12664965) is 2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane.
What is the SMILES notation for 2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane?
The canonical SMILES for 2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane is CC(C[Si](C)(C)C)B1C2CCCC1CCC2.
What is the InChIKey of 2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane?
The InChIKey is XZISORJVDNVERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BSi/c1-12(11-16(2,3)4)15-13-7-5-8-14(15)10-6-9-13/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane?
2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane has a molecular weight of 236.28 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane is sourced from PubChem (CID 12664965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).