diethynylboranyl(dimethyl)borane

C6H8B2 — CID 177269215

IUPACdiethynylboranyl(dimethyl)borane
SMILESC#CB(C#C)B(C)C
InChIInChI=1S/C6H8B2/c1-5-8(6-2)7(3)4/h1-2H,3-4H3
InChIKeyMQIKWLIVAQIINE-UHFFFAOYSA-N
MW101.75 g/mol
LogP0.66
Rot. Bonds1

About diethynylboranyl(dimethyl)borane

diethynylboranyl(dimethyl)borane (PubChem CID 177269215) has the molecular formula C6H8B2 and a molecular weight of 101.75 g/mol. Its IUPAC name is diethynylboranyl(dimethyl)borane.

Molecular Properties

Compound Namediethynylboranyl(dimethyl)borane
PubChem CID177269215
Molecular FormulaC6H8B2
Molecular Weight101.75 g/mol
Exact Mass102.08
IUPAC Namediethynylboranyl(dimethyl)borane
SMILESC#CB(C#C)B(C)C
InChIInChI=1S/C6H8B2/c1-5-8(6-2)7(3)4/h1-2H,3-4H3
InChIKeyMQIKWLIVAQIINE-UHFFFAOYSA-N
XLogP0.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.75
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethynylboranyl(dimethyl)borane?
The IUPAC name of diethynylboranyl(dimethyl)borane (CID 177269215) is diethynylboranyl(dimethyl)borane.
What is the SMILES notation for diethynylboranyl(dimethyl)borane?
The canonical SMILES for diethynylboranyl(dimethyl)borane is C#CB(C#C)B(C)C.
What is the InChIKey of diethynylboranyl(dimethyl)borane?
The InChIKey is MQIKWLIVAQIINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8B2/c1-5-8(6-2)7(3)4/h1-2H,3-4H3.
What are the key properties of diethynylboranyl(dimethyl)borane?
diethynylboranyl(dimethyl)borane has a molecular weight of 101.75 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethynylboranyl(dimethyl)borane is sourced from PubChem (CID 177269215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).