bis(3-methylbutan-2-yl)-(2-methylbutyl)borane

C15H33B — CID 13173751

IUPACbis(3-methylbutan-2-yl)-(2-methylbutyl)borane
SMILESCCC(C)CB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C15H33B/c1-9-13(6)10-16(14(7)11(2)3)15(8)12(4)5/h11-15H,9-10H2,1-8H3
InChIKeyNSQXRIUOSPEYIV-UHFFFAOYSA-N
MW224.24 g/mol
LogP5.62
Rot. Bonds7

About bis(3-methylbutan-2-yl)-(2-methylbutyl)borane

bis(3-methylbutan-2-yl)-(2-methylbutyl)borane (PubChem CID 13173751) has the molecular formula C15H33B and a molecular weight of 224.24 g/mol. Its IUPAC name is bis(3-methylbutan-2-yl)-(2-methylbutyl)borane.

Molecular Properties

Compound Namebis(3-methylbutan-2-yl)-(2-methylbutyl)borane
PubChem CID13173751
Molecular FormulaC15H33B
Molecular Weight224.24 g/mol
Exact Mass224.27
IUPAC Namebis(3-methylbutan-2-yl)-(2-methylbutyl)borane
SMILESCCC(C)CB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C15H33B/c1-9-13(6)10-16(14(7)11(2)3)15(8)12(4)5/h11-15H,9-10H2,1-8H3
InChIKeyNSQXRIUOSPEYIV-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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 bis(3-methylbutan-2-yl)-(2-methylbutyl)borane?
The IUPAC name of bis(3-methylbutan-2-yl)-(2-methylbutyl)borane (CID 13173751) is bis(3-methylbutan-2-yl)-(2-methylbutyl)borane.
What is the SMILES notation for bis(3-methylbutan-2-yl)-(2-methylbutyl)borane?
The canonical SMILES for bis(3-methylbutan-2-yl)-(2-methylbutyl)borane is CCC(C)CB(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of bis(3-methylbutan-2-yl)-(2-methylbutyl)borane?
The InChIKey is NSQXRIUOSPEYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33B/c1-9-13(6)10-16(14(7)11(2)3)15(8)12(4)5/h11-15H,9-10H2,1-8H3.
What are the key properties of bis(3-methylbutan-2-yl)-(2-methylbutyl)borane?
bis(3-methylbutan-2-yl)-(2-methylbutyl)borane has a molecular weight of 224.24 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylbutan-2-yl)-(2-methylbutyl)borane is sourced from PubChem (CID 13173751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).