dilithium;ethenoxy(dioxido)borane

C2H3BLi2O3 — CID 175388472

IUPACdilithium;ethenoxy(dioxido)borane
SMILESC=COB([O-])[O-].[Li+].[Li+]
InChIInChI=1S/C2H3BO3.2Li/c1-2-6-3(4)5;;/h2H,1H2;;/q-2;2*+1
InChIKeyRTRQETVOXRKPQS-UHFFFAOYSA-N
MW99.74 g/mol
LogP-8.14
Rot. Bonds2

About dilithium;ethenoxy(dioxido)borane

dilithium;ethenoxy(dioxido)borane (PubChem CID 175388472) has the molecular formula C2H3BLi2O3 and a molecular weight of 99.74 g/mol. Its IUPAC name is dilithium;ethenoxy(dioxido)borane.

Molecular Properties

Compound Namedilithium;ethenoxy(dioxido)borane
PubChem CID175388472
Molecular FormulaC2H3BLi2O3
Molecular Weight99.74 g/mol
Exact Mass100.05
IUPAC Namedilithium;ethenoxy(dioxido)borane
SMILESC=COB([O-])[O-].[Li+].[Li+]
InChIInChI=1S/C2H3BO3.2Li/c1-2-6-3(4)5;;/h2H,1H2;;/q-2;2*+1
InChIKeyRTRQETVOXRKPQS-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 ≤ 50099.74
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 dilithium;ethenoxy(dioxido)borane?
The IUPAC name of dilithium;ethenoxy(dioxido)borane (CID 175388472) is dilithium;ethenoxy(dioxido)borane.
What is the SMILES notation for dilithium;ethenoxy(dioxido)borane?
The canonical SMILES for dilithium;ethenoxy(dioxido)borane is C=COB([O-])[O-].[Li+].[Li+].
What is the InChIKey of dilithium;ethenoxy(dioxido)borane?
The InChIKey is RTRQETVOXRKPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BO3.2Li/c1-2-6-3(4)5;;/h2H,1H2;;/q-2;2*+1.
What are the key properties of dilithium;ethenoxy(dioxido)borane?
dilithium;ethenoxy(dioxido)borane has a molecular weight of 99.74 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 dilithium;ethenoxy(dioxido)borane is sourced from PubChem (CID 175388472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).