barium(2+);1,2-dimethoxyethane;dibromide

C4H10BaBr2O2 — CID 173394585

IUPACbarium(2+);1,2-dimethoxyethane;dibromide
SMILESCOCCOC.[Ba+2].[Br-].[Br-]
InChIInChI=1S/C4H10O2.Ba.2BrH/c1-5-3-4-6-2;;;/h3-4H2,1-2H3;;2*1H/q;+2;;/p-2
InChIKeyRCDAIWBUDYAWTB-UHFFFAOYSA-L
MW387.26 g/mol
LogP-6.09
Rot. Bonds3

About barium(2+);1,2-dimethoxyethane;dibromide

barium(2+);1,2-dimethoxyethane;dibromide (PubChem CID 173394585) has the molecular formula C4H10BaBr2O2 and a molecular weight of 387.26 g/mol. Its IUPAC name is barium(2+);1,2-dimethoxyethane;dibromide.

Molecular Properties

Compound Namebarium(2+);1,2-dimethoxyethane;dibromide
PubChem CID173394585
Molecular FormulaC4H10BaBr2O2
Molecular Weight387.26 g/mol
Exact Mass385.81
IUPAC Namebarium(2+);1,2-dimethoxyethane;dibromide
SMILESCOCCOC.[Ba+2].[Br-].[Br-]
InChIInChI=1S/C4H10O2.Ba.2BrH/c1-5-3-4-6-2;;;/h3-4H2,1-2H3;;2*1H/q;+2;;/p-2
InChIKeyRCDAIWBUDYAWTB-UHFFFAOYSA-L
XLogP-6.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 5-6.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
1,2-dimethoxyethane;niobium;hydrochloride
CID 88933065
magnesium;1,2-dimethoxyethane;dichloride
CID 174702876
azane;1,2-dimethoxyethane;hydrochloride
CID 175079035
1,2-dimethoxyethane;nickel(2+);dichloride
CID 22904217
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;N-methylmethanamine
CID 175177446
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethane
CID 118566183
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430

Frequently Asked Questions

What is the IUPAC name of barium(2+);1,2-dimethoxyethane;dibromide?
The IUPAC name of barium(2+);1,2-dimethoxyethane;dibromide (CID 173394585) is barium(2+);1,2-dimethoxyethane;dibromide.
What is the SMILES notation for barium(2+);1,2-dimethoxyethane;dibromide?
The canonical SMILES for barium(2+);1,2-dimethoxyethane;dibromide is COCCOC.[Ba+2].[Br-].[Br-].
What is the InChIKey of barium(2+);1,2-dimethoxyethane;dibromide?
The InChIKey is RCDAIWBUDYAWTB-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H10O2.Ba.2BrH/c1-5-3-4-6-2;;;/h3-4H2,1-2H3;;2*1H/q;+2;;/p-2.
What are the key properties of barium(2+);1,2-dimethoxyethane;dibromide?
barium(2+);1,2-dimethoxyethane;dibromide has a molecular weight of 387.26 g/mol, XLogP of -6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);1,2-dimethoxyethane;dibromide is sourced from PubChem (CID 173394585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).