carbanylium;copper;ethane-1,1,2,2-tetrol

C4H12Cu2O4+2 — CID 58811114

IUPACcarbanylium;copper;ethane-1,1,2,2-tetrol
SMILESOC(O)C(O)O.[CH3+].[CH3+].[Cu].[Cu]
InChIInChI=1S/C2H6O4.2CH3.2Cu/c3-1(4)2(5)6;;;;/h1-6H;2*1H3;;/q;2*+1;;
InChIKeyVHAAFVFEYLNSQG-UHFFFAOYSA-N
MW251.23 g/mol
LogP-1.50
Rot. Bonds1

About carbanylium;copper;ethane-1,1,2,2-tetrol

carbanylium;copper;ethane-1,1,2,2-tetrol (PubChem CID 58811114) has the molecular formula C4H12Cu2O4+2 and a molecular weight of 251.23 g/mol. Its IUPAC name is carbanylium;copper;ethane-1,1,2,2-tetrol.

Molecular Properties

Compound Namecarbanylium;copper;ethane-1,1,2,2-tetrol
PubChem CID58811114
Molecular FormulaC4H12Cu2O4+2
Molecular Weight251.23 g/mol
Exact Mass249.93
IUPAC Namecarbanylium;copper;ethane-1,1,2,2-tetrol
SMILESOC(O)C(O)O.[CH3+].[CH3+].[Cu].[Cu]
InChIInChI=1S/C2H6O4.2CH3.2Cu/c3-1(4)2(5)6;;;;/h1-6H;2*1H3;;/q;2*+1;;
InChIKeyVHAAFVFEYLNSQG-UHFFFAOYSA-N
XLogP-1.50
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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dizinc;carbanide;ethane-1,1,2,2-tetrol
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CID 6396229
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alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid
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CID 20721397
copper;tetrakis(1,2-dihydroxyethane-1,2-dithiolate);manganese;octahydrate
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(2E,4E)-hexa-2,4-diene-1,1,6,6-tetrol
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2-(methylamino)propane-1,1,3-triol
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bis(2-amino-3,3-dihydroxypropanamide);copper;dihydrate
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Frequently Asked Questions

What is the IUPAC name of carbanylium;copper;ethane-1,1,2,2-tetrol?
The IUPAC name of carbanylium;copper;ethane-1,1,2,2-tetrol (CID 58811114) is carbanylium;copper;ethane-1,1,2,2-tetrol.
What is the SMILES notation for carbanylium;copper;ethane-1,1,2,2-tetrol?
The canonical SMILES for carbanylium;copper;ethane-1,1,2,2-tetrol is OC(O)C(O)O.[CH3+].[CH3+].[Cu].[Cu].
What is the InChIKey of carbanylium;copper;ethane-1,1,2,2-tetrol?
The InChIKey is VHAAFVFEYLNSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4.2CH3.2Cu/c3-1(4)2(5)6;;;;/h1-6H;2*1H3;;/q;2*+1;;.
What are the key properties of carbanylium;copper;ethane-1,1,2,2-tetrol?
carbanylium;copper;ethane-1,1,2,2-tetrol has a molecular weight of 251.23 g/mol, XLogP of -1.50, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanylium;copper;ethane-1,1,2,2-tetrol is sourced from PubChem (CID 58811114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).