ethenyl(methoxy)borinic acid

C3H7BO2 — CID 140646608

IUPACethenyl(methoxy)borinic acid
SMILESC=CB(O)OC
InChIInChI=1S/C3H7BO2/c1-3-4(5)6-2/h3,5H,1H2,2H3
InChIKeyBZNUVWBSIYHOBI-UHFFFAOYSA-N
MW85.90 g/mol
LogP-0.16
Rot. Bonds2

About ethenyl(methoxy)borinic acid

ethenyl(methoxy)borinic acid (PubChem CID 140646608) has the molecular formula C3H7BO2 and a molecular weight of 85.90 g/mol. Its IUPAC name is ethenyl(methoxy)borinic acid.

Molecular Properties

Compound Nameethenyl(methoxy)borinic acid
PubChem CID140646608
Molecular FormulaC3H7BO2
Molecular Weight85.90 g/mol
Exact Mass86.05
IUPAC Nameethenyl(methoxy)borinic acid
SMILESC=CB(O)OC
InChIInChI=1S/C3H7BO2/c1-3-4(5)6-2/h3,5H,1H2,2H3
InChIKeyBZNUVWBSIYHOBI-UHFFFAOYSA-N
XLogP-0.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.90
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
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 ethenyl(methoxy)borinic acid?
The IUPAC name of ethenyl(methoxy)borinic acid (CID 140646608) is ethenyl(methoxy)borinic acid.
What is the SMILES notation for ethenyl(methoxy)borinic acid?
The canonical SMILES for ethenyl(methoxy)borinic acid is C=CB(O)OC.
What is the InChIKey of ethenyl(methoxy)borinic acid?
The InChIKey is BZNUVWBSIYHOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BO2/c1-3-4(5)6-2/h3,5H,1H2,2H3.
What are the key properties of ethenyl(methoxy)borinic acid?
ethenyl(methoxy)borinic acid has a molecular weight of 85.90 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(methoxy)borinic acid is sourced from PubChem (CID 140646608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).