ethenyl(dioxido)borane

C2H3BO2-2 — CID 19007629

IUPACethenyl(dioxido)borane
SMILESC=CB([O-])[O-]
InChIInChI=1S/C2H3BO2/c1-2-3(4)5/h2H,1H2/q-2
InChIKeyRCZSYJJKLYUACH-UHFFFAOYSA-N
MW69.86 g/mol
LogP-2.08
Rot. Bonds1

About ethenyl(dioxido)borane

ethenyl(dioxido)borane (PubChem CID 19007629) has the molecular formula C2H3BO2-2 and a molecular weight of 69.86 g/mol. Its IUPAC name is ethenyl(dioxido)borane.

Molecular Properties

Compound Nameethenyl(dioxido)borane
PubChem CID19007629
Molecular FormulaC2H3BO2-2
Molecular Weight69.86 g/mol
Exact Mass70.02
IUPAC Nameethenyl(dioxido)borane
SMILESC=CB([O-])[O-]
InChIInChI=1S/C2H3BO2/c1-2-3(4)5/h2H,1H2/q-2
InChIKeyRCZSYJJKLYUACH-UHFFFAOYSA-N
XLogP-2.08
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.86
LogP ≤ 5-2.08
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 ethenyl(dioxido)borane?
The IUPAC name of ethenyl(dioxido)borane (CID 19007629) is ethenyl(dioxido)borane.
What is the SMILES notation for ethenyl(dioxido)borane?
The canonical SMILES for ethenyl(dioxido)borane is C=CB([O-])[O-].
What is the InChIKey of ethenyl(dioxido)borane?
The InChIKey is RCZSYJJKLYUACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BO2/c1-2-3(4)5/h2H,1H2/q-2.
What are the key properties of ethenyl(dioxido)borane?
ethenyl(dioxido)borane has a molecular weight of 69.86 g/mol, XLogP of -2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(dioxido)borane is sourced from PubChem (CID 19007629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).