dicopper;ethanol;tetrakis(2-methylbenzoate)

C36H40Cu2O10 — CID 139082214

IUPACdicopper;ethanol;tetrakis(2-methylbenzoate)
SMILESCCO.CCO.Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].[Cu+2].[Cu+2]
InChIInChI=1S/4C8H8O2.2C2H6O.2Cu/c4*1-6-4-2-3-5-7(6)8(9)10;2*1-2-3;;/h4*2-5H,1H3,(H,9,10);2*3H,2H2,1H3;;/q;;;;;;2*+2/p-4
InChIKeyRBCLIGTZMALYIE-UHFFFAOYSA-J
MW759.80 g/mol
LogP1.43
Rot. Bonds4

About dicopper;ethanol;tetrakis(2-methylbenzoate)

dicopper;ethanol;tetrakis(2-methylbenzoate) (PubChem CID 139082214) has the molecular formula C36H40Cu2O10 and a molecular weight of 759.80 g/mol. Its IUPAC name is dicopper;ethanol;tetrakis(2-methylbenzoate).

Molecular Properties

Compound Namedicopper;ethanol;tetrakis(2-methylbenzoate)
PubChem CID139082214
Molecular FormulaC36H40Cu2O10
Molecular Weight759.80 g/mol
Exact Mass758.12
IUPAC Namedicopper;ethanol;tetrakis(2-methylbenzoate)
SMILESCCO.CCO.Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].[Cu+2].[Cu+2]
InChIInChI=1S/4C8H8O2.2C2H6O.2Cu/c4*1-6-4-2-3-5-7(6)8(9)10;2*1-2-3;;/h4*2-5H,1H3,(H,9,10);2*3H,2H2,1H3;;/q;;;;;;2*+2/p-4
InChIKeyRBCLIGTZMALYIE-UHFFFAOYSA-J
XLogP1.43
TPSA200.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500759.80
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

Oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)
CID 139142716
4,4,15,15,26,26-Hexakis(4-methylphenyl)-3,5,14,16,25,27-hexaoxa-4lambda4,15lambda4,26lambda4-tritelluratetracyclo[27.4.0.07,12.018,23]tritriaconta-1(33),7,9,11,18,20,22,29,31-nonaene-2,6,13,17,24,28-hexone
CID 16133403
Chlorodiphenylantimony(v) bis(2-methyl benzoate)
CID 16707993
Ruthenium chalconate
CID 129712580
Triphenylantimony bis(2-methylbenzoate)
CID 129766914
Thorium toluate
CID 129831671
Dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)
CID 139036983
Bis(4-ethenylbenzoate);bis(molybdenum(2+));oxolane;bis(2,4,6-tri(propan-2-yl)benzoate)
CID 139044573
Tetrakis(anthracene-9-carboxylate);ethanol;ethanolate;bis(ruthenium(3+))
CID 139044754
CID 139056024
CID 139056024
Tetrakis(mu-4-ethylbenzoato-kappa^2^O:O')bis[(4-ethylbenzoic acid-kappaO)copper(II)]
CID 139074858
Tetra-mu-benzoato-kappa^8^O:O'-bis[(benzoic acid-kappaO)nickel(II)]
CID 139077656

Frequently Asked Questions

What is the IUPAC name of dicopper;ethanol;tetrakis(2-methylbenzoate)?
The IUPAC name of dicopper;ethanol;tetrakis(2-methylbenzoate) (CID 139082214) is dicopper;ethanol;tetrakis(2-methylbenzoate).
What is the SMILES notation for dicopper;ethanol;tetrakis(2-methylbenzoate)?
The canonical SMILES for dicopper;ethanol;tetrakis(2-methylbenzoate) is CCO.CCO.Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper;ethanol;tetrakis(2-methylbenzoate)?
The InChIKey is RBCLIGTZMALYIE-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H8O2.2C2H6O.2Cu/c4*1-6-4-2-3-5-7(6)8(9)10;2*1-2-3;;/h4*2-5H,1H3,(H,9,10);2*3H,2H2,1H3;;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;ethanol;tetrakis(2-methylbenzoate)?
dicopper;ethanol;tetrakis(2-methylbenzoate) has a molecular weight of 759.80 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;ethanol;tetrakis(2-methylbenzoate) is sourced from PubChem (CID 139082214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).