2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane

C15H33B — CID 134979255

IUPAC2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane
SMILESCC(C)C(C)B(CC(C)(C)C)C(C)C(C)C
InChIInChI=1S/C15H33B/c1-11(2)13(5)16(10-15(7,8)9)14(6)12(3)4/h11-14H,10H2,1-9H3
InChIKeyNWQLGRYIJRAJMM-UHFFFAOYSA-N
MW224.24 g/mol
LogP5.62
Rot. Bonds5

About 2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane

2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane (PubChem CID 134979255) has the molecular formula C15H33B and a molecular weight of 224.24 g/mol. Its IUPAC name is 2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Name2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane
PubChem CID134979255
Molecular FormulaC15H33B
Molecular Weight224.24 g/mol
Exact Mass224.27
IUPAC Name2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane
SMILESCC(C)C(C)B(CC(C)(C)C)C(C)C(C)C
InChIInChI=1S/C15H33B/c1-11(2)13(5)16(10-15(7,8)9)14(6)12(3)4/h11-14H,10H2,1-9H3
InChIKeyNWQLGRYIJRAJMM-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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 2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane?
The IUPAC name of 2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane (CID 134979255) is 2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for 2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for 2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane is CC(C)C(C)B(CC(C)(C)C)C(C)C(C)C.
What is the InChIKey of 2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane?
The InChIKey is NWQLGRYIJRAJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33B/c1-11(2)13(5)16(10-15(7,8)9)14(6)12(3)4/h11-14H,10H2,1-9H3.
What are the key properties of 2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane?
2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane has a molecular weight of 224.24 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 134979255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).