dibutyl(tert-butyl)borane

C12H27B — CID 121007345

IUPACdibutyl(tert-butyl)borane
SMILESCCCCB(CCCC)C(C)(C)C
InChIInChI=1S/C12H27B/c1-6-8-10-13(11-9-7-2)12(3,4)5/h6-11H2,1-5H3
InChIKeyYXUQQHGEWQUAKS-UHFFFAOYSA-N
MW182.16 g/mol
LogP4.88
Rot. Bonds6

About dibutyl(tert-butyl)borane

dibutyl(tert-butyl)borane (PubChem CID 121007345) has the molecular formula C12H27B and a molecular weight of 182.16 g/mol. Its IUPAC name is dibutyl(tert-butyl)borane.

Molecular Properties

Compound Namedibutyl(tert-butyl)borane
PubChem CID121007345
Molecular FormulaC12H27B
Molecular Weight182.16 g/mol
Exact Mass182.22
IUPAC Namedibutyl(tert-butyl)borane
SMILESCCCCB(CCCC)C(C)(C)C
InChIInChI=1S/C12H27B/c1-6-8-10-13(11-9-7-2)12(3,4)5/h6-11H2,1-5H3
InChIKeyYXUQQHGEWQUAKS-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 54.88
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 dibutyl(tert-butyl)borane?
The IUPAC name of dibutyl(tert-butyl)borane (CID 121007345) is dibutyl(tert-butyl)borane.
What is the SMILES notation for dibutyl(tert-butyl)borane?
The canonical SMILES for dibutyl(tert-butyl)borane is CCCCB(CCCC)C(C)(C)C.
What is the InChIKey of dibutyl(tert-butyl)borane?
The InChIKey is YXUQQHGEWQUAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27B/c1-6-8-10-13(11-9-7-2)12(3,4)5/h6-11H2,1-5H3.
What are the key properties of dibutyl(tert-butyl)borane?
dibutyl(tert-butyl)borane has a molecular weight of 182.16 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(tert-butyl)borane is sourced from PubChem (CID 121007345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).