dimethyl(propa-1,2-dienyl)borane

C5H9B — CID 23393411

IUPACdimethyl(propa-1,2-dienyl)borane
SMILESC=C=CB(C)C
InChIInChI=1S/C5H9B/c1-4-5-6(2)3/h5H,1H2,2-3H3
InChIKeyIHGAMSMGQVTTHE-UHFFFAOYSA-N
MW79.94 g/mol
LogP1.62
Rot. Bonds1

About dimethyl(propa-1,2-dienyl)borane

dimethyl(propa-1,2-dienyl)borane (PubChem CID 23393411) has the molecular formula C5H9B and a molecular weight of 79.94 g/mol. Its IUPAC name is dimethyl(propa-1,2-dienyl)borane.

Molecular Properties

Compound Namedimethyl(propa-1,2-dienyl)borane
PubChem CID23393411
Molecular FormulaC5H9B
Molecular Weight79.94 g/mol
Exact Mass80.08
IUPAC Namedimethyl(propa-1,2-dienyl)borane
SMILESC=C=CB(C)C
InChIInChI=1S/C5H9B/c1-4-5-6(2)3/h5H,1H2,2-3H3
InChIKeyIHGAMSMGQVTTHE-UHFFFAOYSA-N
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.94
LogP ≤ 51.62
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 dimethyl(propa-1,2-dienyl)borane?
The IUPAC name of dimethyl(propa-1,2-dienyl)borane (CID 23393411) is dimethyl(propa-1,2-dienyl)borane.
What is the SMILES notation for dimethyl(propa-1,2-dienyl)borane?
The canonical SMILES for dimethyl(propa-1,2-dienyl)borane is C=C=CB(C)C.
What is the InChIKey of dimethyl(propa-1,2-dienyl)borane?
The InChIKey is IHGAMSMGQVTTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9B/c1-4-5-6(2)3/h5H,1H2,2-3H3.
What are the key properties of dimethyl(propa-1,2-dienyl)borane?
dimethyl(propa-1,2-dienyl)borane has a molecular weight of 79.94 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(propa-1,2-dienyl)borane is sourced from PubChem (CID 23393411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).