barium(2+);methoxy(dioxido)borane

CH3BBaO3 — CID 160772324

IUPACbarium(2+);methoxy(dioxido)borane
SMILESCOB([O-])[O-].[Ba+2]
InChIInChI=1S/CH3BO3.Ba/c1-5-2(3)4;/h1H3;/q-2;+2
InChIKeyRZMDPZAFENILRZ-UHFFFAOYSA-N
MW211.17 g/mol
LogP-3.04
Rot. Bonds1

About barium(2+);methoxy(dioxido)borane

barium(2+);methoxy(dioxido)borane (PubChem CID 160772324) has the molecular formula CH3BBaO3 and a molecular weight of 211.17 g/mol. Its IUPAC name is barium(2+);methoxy(dioxido)borane.

Molecular Properties

Compound Namebarium(2+);methoxy(dioxido)borane
PubChem CID160772324
Molecular FormulaCH3BBaO3
Molecular Weight211.17 g/mol
Exact Mass211.92
IUPAC Namebarium(2+);methoxy(dioxido)borane
SMILESCOB([O-])[O-].[Ba+2]
InChIInChI=1S/CH3BO3.Ba/c1-5-2(3)4;/h1H3;/q-2;+2
InChIKeyRZMDPZAFENILRZ-UHFFFAOYSA-N
XLogP-3.04
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 5-3.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 barium(2+);methoxy(dioxido)borane?
The IUPAC name of barium(2+);methoxy(dioxido)borane (CID 160772324) is barium(2+);methoxy(dioxido)borane.
What is the SMILES notation for barium(2+);methoxy(dioxido)borane?
The canonical SMILES for barium(2+);methoxy(dioxido)borane is COB([O-])[O-].[Ba+2].
What is the InChIKey of barium(2+);methoxy(dioxido)borane?
The InChIKey is RZMDPZAFENILRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BO3.Ba/c1-5-2(3)4;/h1H3;/q-2;+2.
What are the key properties of barium(2+);methoxy(dioxido)borane?
barium(2+);methoxy(dioxido)borane has a molecular weight of 211.17 g/mol, XLogP of -3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);methoxy(dioxido)borane is sourced from PubChem (CID 160772324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).