ethenoxy(oxo)borane

C2H3BO2 — CID 139628944

IUPACethenoxy(oxo)borane
SMILESC=COB=O
InChIInChI=1S/C2H3BO2/c1-2-5-3-4/h2H,1H2
InChIKeyCHULKCWRBJWPBU-UHFFFAOYSA-N
MW69.86 g/mol
LogP0.11
Rot. Bonds2

About ethenoxy(oxo)borane

ethenoxy(oxo)borane (PubChem CID 139628944) has the molecular formula C2H3BO2 and a molecular weight of 69.86 g/mol. Its IUPAC name is ethenoxy(oxo)borane.

Molecular Properties

Compound Nameethenoxy(oxo)borane
PubChem CID139628944
Molecular FormulaC2H3BO2
Molecular Weight69.86 g/mol
Exact Mass70.02
IUPAC Nameethenoxy(oxo)borane
SMILESC=COB=O
InChIInChI=1S/C2H3BO2/c1-2-5-3-4/h2H,1H2
InChIKeyCHULKCWRBJWPBU-UHFFFAOYSA-N
XLogP0.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.86
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenoxy(oxo)borane?
The IUPAC name of ethenoxy(oxo)borane (CID 139628944) is ethenoxy(oxo)borane.
What is the SMILES notation for ethenoxy(oxo)borane?
The canonical SMILES for ethenoxy(oxo)borane is C=COB=O.
What is the InChIKey of ethenoxy(oxo)borane?
The InChIKey is CHULKCWRBJWPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BO2/c1-2-5-3-4/h2H,1H2.
What are the key properties of ethenoxy(oxo)borane?
ethenoxy(oxo)borane has a molecular weight of 69.86 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxy(oxo)borane is sourced from PubChem (CID 139628944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).