diethyl(methoxy)borane

C5H13BO — CID 522516

IUPACdiethyl(methoxy)borane
SMILESCCB(CC)OC
InChIInChI=1S/C5H13BO/c1-4-6(5-2)7-3/h4-5H2,1-3H3
InChIKeyFESAXEDIWWXCNG-UHFFFAOYSA-N
MW99.97 g/mol
LogP1.66
Rot. Bonds3

About diethyl(methoxy)borane

diethyl(methoxy)borane (PubChem CID 522516) has the molecular formula C5H13BO and a molecular weight of 99.97 g/mol. Its IUPAC name is diethyl(methoxy)borane.

Molecular Properties

Compound Namediethyl(methoxy)borane
PubChem CID522516
Molecular FormulaC5H13BO
Molecular Weight99.97 g/mol
Exact Mass100.11
IUPAC Namediethyl(methoxy)borane
SMILESCCB(CC)OC
InChIInChI=1S/C5H13BO/c1-4-6(5-2)7-3/h4-5H2,1-3H3
InChIKeyFESAXEDIWWXCNG-UHFFFAOYSA-N
XLogP1.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.97
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 diethyl(methoxy)borane?
The IUPAC name of diethyl(methoxy)borane (CID 522516) is diethyl(methoxy)borane.
What is the SMILES notation for diethyl(methoxy)borane?
The canonical SMILES for diethyl(methoxy)borane is CCB(CC)OC.
What is the InChIKey of diethyl(methoxy)borane?
The InChIKey is FESAXEDIWWXCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13BO/c1-4-6(5-2)7-3/h4-5H2,1-3H3.
What are the key properties of diethyl(methoxy)borane?
diethyl(methoxy)borane has a molecular weight of 99.97 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(methoxy)borane is sourced from PubChem (CID 522516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).