dibutyl(2,2-dimethylpropyl)borane

C13H29B — CID 134906262

IUPACdibutyl(2,2-dimethylpropyl)borane
SMILESCCCCB(CCCC)CC(C)(C)C
InChIInChI=1S/C13H29B/c1-6-8-10-14(11-9-7-2)12-13(3,4)5/h6-12H2,1-5H3
InChIKeyDBUJXLDSKUQATB-UHFFFAOYSA-N
MW196.19 g/mol
LogP5.13
Rot. Bonds7

About dibutyl(2,2-dimethylpropyl)borane

dibutyl(2,2-dimethylpropyl)borane (PubChem CID 134906262) has the molecular formula C13H29B and a molecular weight of 196.19 g/mol. Its IUPAC name is dibutyl(2,2-dimethylpropyl)borane.

Molecular Properties

Compound Namedibutyl(2,2-dimethylpropyl)borane
PubChem CID134906262
Molecular FormulaC13H29B
Molecular Weight196.19 g/mol
Exact Mass196.24
IUPAC Namedibutyl(2,2-dimethylpropyl)borane
SMILESCCCCB(CCCC)CC(C)(C)C
InChIInChI=1S/C13H29B/c1-6-8-10-14(11-9-7-2)12-13(3,4)5/h6-12H2,1-5H3
InChIKeyDBUJXLDSKUQATB-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.19
LogP ≤ 55.13
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

tri(nonyl)borane
CID 12793706
tributylborane;trifluoromethanesulfonic acid
CID 19887929
dibutyl-[(2-methylpropan-2-yl)oxy]borane
CID 15908787
2,2-dimethylhexane
CID 169424592
alumane;pentane
CID 173125985
dibutyl(trifluoromethyl)borane
CID 19046335
2,2-dimethylbutane;2-methylbutane;pentane
CID 158103656
2,2-dimethylpropane;heptane
CID 144531055
azane;2,2-dimethylhexane
CID 161105081
alumane;hexadecane
CID 173005207
alumane;dodecane
CID 173445069
pentakis(2,2-dimethylbutane);methane
CID 161368616

Frequently Asked Questions

What is the IUPAC name of dibutyl(2,2-dimethylpropyl)borane?
The IUPAC name of dibutyl(2,2-dimethylpropyl)borane (CID 134906262) is dibutyl(2,2-dimethylpropyl)borane.
What is the SMILES notation for dibutyl(2,2-dimethylpropyl)borane?
The canonical SMILES for dibutyl(2,2-dimethylpropyl)borane is CCCCB(CCCC)CC(C)(C)C.
What is the InChIKey of dibutyl(2,2-dimethylpropyl)borane?
The InChIKey is DBUJXLDSKUQATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29B/c1-6-8-10-14(11-9-7-2)12-13(3,4)5/h6-12H2,1-5H3.
What are the key properties of dibutyl(2,2-dimethylpropyl)borane?
dibutyl(2,2-dimethylpropyl)borane has a molecular weight of 196.19 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(2,2-dimethylpropyl)borane is sourced from PubChem (CID 134906262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).