tris(3-methylbutyl)borane

C15H33B — CID 12736075

IUPACtris(3-methylbutyl)borane
SMILESCC(C)CCB(CCC(C)C)CCC(C)C
InChIInChI=1S/C15H33B/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-15H,7-12H2,1-6H3
InChIKeyCBJBRFMWGMGRRL-UHFFFAOYSA-N
MW224.24 g/mol
LogP5.62
Rot. Bonds9

About tris(3-methylbutyl)borane

tris(3-methylbutyl)borane (PubChem CID 12736075) has the molecular formula C15H33B and a molecular weight of 224.24 g/mol. Its IUPAC name is tris(3-methylbutyl)borane.

Molecular Properties

Compound Nametris(3-methylbutyl)borane
PubChem CID12736075
Molecular FormulaC15H33B
Molecular Weight224.24 g/mol
Exact Mass224.27
IUPAC Nametris(3-methylbutyl)borane
SMILESCC(C)CCB(CCC(C)C)CCC(C)C
InChIInChI=1S/C15H33B/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-15H,7-12H2,1-6H3
InChIKeyCBJBRFMWGMGRRL-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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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Related Compounds

Triisobutylborane
CID 70691
Tris(1,2-dimethylpropyl)borane
CID 122587
Potassium hydridotris(3-methylbutan-2-yl)borate(1-)
CID 23676661
Lithium hydridotris(3-methylbutan-2-yl)borate(1-)
CID 5060263
Bis(1,2-dimethylpropyl)borane
CID 192733
Bis(3-methylbutan-2-yl)boron
CID 6337887
Ks-selectride
CID 4459029
Borane, tris(2-methylpentyl)-
CID 10061453
Diisoamylborane
CID 11008130
CID 11073806
CID 11073806
CID 12423839
CID 12423839
Hexylbis(3-methylbutan-2-yl)borane
CID 13680388

Frequently Asked Questions

What is the IUPAC name of tris(3-methylbutyl)borane?
The IUPAC name of tris(3-methylbutyl)borane (CID 12736075) is tris(3-methylbutyl)borane.
What is the SMILES notation for tris(3-methylbutyl)borane?
The canonical SMILES for tris(3-methylbutyl)borane is CC(C)CCB(CCC(C)C)CCC(C)C.
What is the InChIKey of tris(3-methylbutyl)borane?
The InChIKey is CBJBRFMWGMGRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33B/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-15H,7-12H2,1-6H3.
What are the key properties of tris(3-methylbutyl)borane?
tris(3-methylbutyl)borane has a molecular weight of 224.24 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-methylbutyl)borane is sourced from PubChem (CID 12736075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).