disodium;ethenoxy(dioxido)borane

C2H3BNa2O3 — CID 175227267

IUPACdisodium;ethenoxy(dioxido)borane
SMILESC=COB([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C2H3BO3.2Na/c1-2-6-3(4)5;;/h2H,1H2;;/q-2;2*+1
InChIKeyWFQFWTYTQFTEJN-UHFFFAOYSA-N
MW131.83 g/mol
LogP-8.14
Rot. Bonds2

About disodium;ethenoxy(dioxido)borane

disodium;ethenoxy(dioxido)borane (PubChem CID 175227267) has the molecular formula C2H3BNa2O3 and a molecular weight of 131.83 g/mol. Its IUPAC name is disodium;ethenoxy(dioxido)borane.

Molecular Properties

Compound Namedisodium;ethenoxy(dioxido)borane
PubChem CID175227267
Molecular FormulaC2H3BNa2O3
Molecular Weight131.83 g/mol
Exact Mass132.00
IUPAC Namedisodium;ethenoxy(dioxido)borane
SMILESC=COB([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C2H3BO3.2Na/c1-2-6-3(4)5;;/h2H,1H2;;/q-2;2*+1
InChIKeyWFQFWTYTQFTEJN-UHFFFAOYSA-N
XLogP-8.14
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.83
LogP ≤ 5-8.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 disodium;ethenoxy(dioxido)borane?
The IUPAC name of disodium;ethenoxy(dioxido)borane (CID 175227267) is disodium;ethenoxy(dioxido)borane.
What is the SMILES notation for disodium;ethenoxy(dioxido)borane?
The canonical SMILES for disodium;ethenoxy(dioxido)borane is C=COB([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;ethenoxy(dioxido)borane?
The InChIKey is WFQFWTYTQFTEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BO3.2Na/c1-2-6-3(4)5;;/h2H,1H2;;/q-2;2*+1.
What are the key properties of disodium;ethenoxy(dioxido)borane?
disodium;ethenoxy(dioxido)borane has a molecular weight of 131.83 g/mol, XLogP of -8.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethenoxy(dioxido)borane is sourced from PubChem (CID 175227267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).