tris(2,2-dimethylpropyl)borane

C15H33B — CID 13493981

IUPACtris(2,2-dimethylpropyl)borane
SMILESCC(C)(C)CB(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C15H33B/c1-13(2,3)10-16(11-14(4,5)6)12-15(7,8)9/h10-12H2,1-9H3
InChIKeyJKWHVCRIWKFKPZ-UHFFFAOYSA-N
MW224.24 g/mol
LogP5.62
Rot. Bonds3

About tris(2,2-dimethylpropyl)borane

tris(2,2-dimethylpropyl)borane (PubChem CID 13493981) has the molecular formula C15H33B and a molecular weight of 224.24 g/mol. Its IUPAC name is tris(2,2-dimethylpropyl)borane.

Molecular Properties

Compound Nametris(2,2-dimethylpropyl)borane
PubChem CID13493981
Molecular FormulaC15H33B
Molecular Weight224.24 g/mol
Exact Mass224.27
IUPAC Nametris(2,2-dimethylpropyl)borane
SMILESCC(C)(C)CB(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C15H33B/c1-13(2,3)10-16(11-14(4,5)6)12-15(7,8)9/h10-12H2,1-9H3
InChIKeyJKWHVCRIWKFKPZ-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.24
LogP ≤ 55.62
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 tris(2,2-dimethylpropyl)borane?
The IUPAC name of tris(2,2-dimethylpropyl)borane (CID 13493981) is tris(2,2-dimethylpropyl)borane.
What is the SMILES notation for tris(2,2-dimethylpropyl)borane?
The canonical SMILES for tris(2,2-dimethylpropyl)borane is CC(C)(C)CB(CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of tris(2,2-dimethylpropyl)borane?
The InChIKey is JKWHVCRIWKFKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33B/c1-13(2,3)10-16(11-14(4,5)6)12-15(7,8)9/h10-12H2,1-9H3.
What are the key properties of tris(2,2-dimethylpropyl)borane?
tris(2,2-dimethylpropyl)borane has a molecular weight of 224.24 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,2-dimethylpropyl)borane is sourced from PubChem (CID 13493981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).