diethoxy(ethyl)borane

C6H15BO2 — CID 542475

IUPACdiethoxy(ethyl)borane
SMILESCCOB(CC)OCC
InChIInChI=1S/C6H15BO2/c1-4-7(8-5-2)9-6-3/h4-6H2,1-3H3
InChIKeyRDEUWASIVCLDKA-UHFFFAOYSA-N
MW130.00 g/mol
LogP1.57
Rot. Bonds5

About diethoxy(ethyl)borane

diethoxy(ethyl)borane (PubChem CID 542475) has the molecular formula C6H15BO2 and a molecular weight of 130.00 g/mol. Its IUPAC name is diethoxy(ethyl)borane.

Molecular Properties

Compound Namediethoxy(ethyl)borane
PubChem CID542475
Molecular FormulaC6H15BO2
Molecular Weight130.00 g/mol
Exact Mass130.12
IUPAC Namediethoxy(ethyl)borane
SMILESCCOB(CC)OCC
InChIInChI=1S/C6H15BO2/c1-4-7(8-5-2)9-6-3/h4-6H2,1-3H3
InChIKeyRDEUWASIVCLDKA-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.00
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 diethoxy(ethyl)borane?
The IUPAC name of diethoxy(ethyl)borane (CID 542475) is diethoxy(ethyl)borane.
What is the SMILES notation for diethoxy(ethyl)borane?
The canonical SMILES for diethoxy(ethyl)borane is CCOB(CC)OCC.
What is the InChIKey of diethoxy(ethyl)borane?
The InChIKey is RDEUWASIVCLDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BO2/c1-4-7(8-5-2)9-6-3/h4-6H2,1-3H3.
What are the key properties of diethoxy(ethyl)borane?
diethoxy(ethyl)borane has a molecular weight of 130.00 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(ethyl)borane is sourced from PubChem (CID 542475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).