ethenoxy(dioxido)borane

C2H3BO3-2 — CID 86654342

IUPACethenoxy(dioxido)borane
SMILESC=COB([O-])[O-]
InChIInChI=1S/C2H3BO3/c1-2-6-3(4)5/h2H,1H2/q-2
InChIKeyYQDDBFGQAKKEIP-UHFFFAOYSA-N
MW85.86 g/mol
LogP-2.15
Rot. Bonds2

About ethenoxy(dioxido)borane

ethenoxy(dioxido)borane (PubChem CID 86654342) has the molecular formula C2H3BO3-2 and a molecular weight of 85.86 g/mol. Its IUPAC name is ethenoxy(dioxido)borane.

Molecular Properties

Compound Nameethenoxy(dioxido)borane
PubChem CID86654342
Molecular FormulaC2H3BO3-2
Molecular Weight85.86 g/mol
Exact Mass86.02
IUPAC Nameethenoxy(dioxido)borane
SMILESC=COB([O-])[O-]
InChIInChI=1S/C2H3BO3/c1-2-6-3(4)5/h2H,1H2/q-2
InChIKeyYQDDBFGQAKKEIP-UHFFFAOYSA-N
XLogP-2.15
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.86
LogP ≤ 5-2.15
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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Related Compounds

1,3,2-Dioxaborole
CID 15559061
Divinylboronate
CID 21922432
Vinyloxyborane
CID 22495045
Ethenoxyboronic acid
CID 22248386
CID 87361004
CID 87361004
CID 129662704
CID 129662704
Vinyl boronate
CID 131748870
Ethenoxy(oxo)borane
CID 139628944
Dipotassium;ethenoxy(dioxido)borane
CID 142796642
CID 173541037
CID 173541037
Disodium;ethenoxy(dioxido)borane
CID 175227267
Dilithium;ethenoxy(dioxido)borane
CID 175388472

Frequently Asked Questions

What is the IUPAC name of ethenoxy(dioxido)borane?
The IUPAC name of ethenoxy(dioxido)borane (CID 86654342) is ethenoxy(dioxido)borane.
What is the SMILES notation for ethenoxy(dioxido)borane?
The canonical SMILES for ethenoxy(dioxido)borane is C=COB([O-])[O-].
What is the InChIKey of ethenoxy(dioxido)borane?
The InChIKey is YQDDBFGQAKKEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BO3/c1-2-6-3(4)5/h2H,1H2/q-2.
What are the key properties of ethenoxy(dioxido)borane?
ethenoxy(dioxido)borane has a molecular weight of 85.86 g/mol, XLogP of -2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxy(dioxido)borane is sourced from PubChem (CID 86654342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).