dimethyl(oxoboranyl)phosphane

C2H6BOP — CID 59912283

IUPACdimethyl(oxoboranyl)phosphane
SMILESCP(C)B=O
InChIInChI=1S/C2H6BOP/c1-5(2)3-4/h1-2H3
InChIKeyJXRXBCNPIOBMIB-UHFFFAOYSA-N
MW87.85 g/mol
LogP0.69
Rot. Bonds1

About dimethyl(oxoboranyl)phosphane

dimethyl(oxoboranyl)phosphane (PubChem CID 59912283) has the molecular formula C2H6BOP and a molecular weight of 87.85 g/mol. Its IUPAC name is dimethyl(oxoboranyl)phosphane.

Molecular Properties

Compound Namedimethyl(oxoboranyl)phosphane
PubChem CID59912283
Molecular FormulaC2H6BOP
Molecular Weight87.85 g/mol
Exact Mass88.02
IUPAC Namedimethyl(oxoboranyl)phosphane
SMILESCP(C)B=O
InChIInChI=1S/C2H6BOP/c1-5(2)3-4/h1-2H3
InChIKeyJXRXBCNPIOBMIB-UHFFFAOYSA-N
XLogP0.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.85
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(oxoboranyl)phosphane?
The IUPAC name of dimethyl(oxoboranyl)phosphane (CID 59912283) is dimethyl(oxoboranyl)phosphane.
What is the SMILES notation for dimethyl(oxoboranyl)phosphane?
The canonical SMILES for dimethyl(oxoboranyl)phosphane is CP(C)B=O.
What is the InChIKey of dimethyl(oxoboranyl)phosphane?
The InChIKey is JXRXBCNPIOBMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6BOP/c1-5(2)3-4/h1-2H3.
What are the key properties of dimethyl(oxoboranyl)phosphane?
dimethyl(oxoboranyl)phosphane has a molecular weight of 87.85 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(oxoboranyl)phosphane is sourced from PubChem (CID 59912283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).