dicopper;methanol;tetrakis(2-methylbenzoate)

C34H36Cu2O10 — CID 139078733

IUPACdicopper;methanol;tetrakis(2-methylbenzoate)
SMILESCO.CO.Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].[Cu+2].[Cu+2]
InChIInChI=1S/4C8H8O2.2CH4O.2Cu/c4*1-6-4-2-3-5-7(6)8(9)10;2*1-2;;/h4*2-5H,1H3,(H,9,10);2*2H,1H3;;/q;;;;;;2*+2/p-4
InChIKeyZIUQZFRRAFAHJT-UHFFFAOYSA-J
MW731.74 g/mol
LogP0.65
Rot. Bonds4

About dicopper;methanol;tetrakis(2-methylbenzoate)

dicopper;methanol;tetrakis(2-methylbenzoate) (PubChem CID 139078733) has the molecular formula C34H36Cu2O10 and a molecular weight of 731.74 g/mol. Its IUPAC name is dicopper;methanol;tetrakis(2-methylbenzoate).

Molecular Properties

Compound Namedicopper;methanol;tetrakis(2-methylbenzoate)
PubChem CID139078733
Molecular FormulaC34H36Cu2O10
Molecular Weight731.74 g/mol
Exact Mass730.09
IUPAC Namedicopper;methanol;tetrakis(2-methylbenzoate)
SMILESCO.CO.Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].[Cu+2].[Cu+2]
InChIInChI=1S/4C8H8O2.2CH4O.2Cu/c4*1-6-4-2-3-5-7(6)8(9)10;2*1-2;;/h4*2-5H,1H3,(H,9,10);2*2H,1H3;;/q;;;;;;2*+2/p-4
InChIKeyZIUQZFRRAFAHJT-UHFFFAOYSA-J
XLogP0.65
TPSA200.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500731.74
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

4,4',6,6'-Tetramethylbiphenyl-2,2'-dicarboxylic acid
CID 139056422
dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate)
CID 139092966
Oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)
CID 139142716
(2-Phenylbenzoyl) 2-phenylbenzenecarboperoxoate
CID 13777379
ZINC-1,3,5-benzenetribenzoate
CID 129827462
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
Oxybis[bis(benzoyloxy)cyclopentadienylzirconium]
CID 129666620
Dicopper benzoate
CID 129671879
Ruthenium chalconate
CID 129712580
Ruthenium(II) chalconate
CID 129712652
Triphenylantimony bis(2-methylbenzoate)
CID 129766914

Frequently Asked Questions

What is the IUPAC name of dicopper;methanol;tetrakis(2-methylbenzoate)?
The IUPAC name of dicopper;methanol;tetrakis(2-methylbenzoate) (CID 139078733) is dicopper;methanol;tetrakis(2-methylbenzoate).
What is the SMILES notation for dicopper;methanol;tetrakis(2-methylbenzoate)?
The canonical SMILES for dicopper;methanol;tetrakis(2-methylbenzoate) is CO.CO.Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper;methanol;tetrakis(2-methylbenzoate)?
The InChIKey is ZIUQZFRRAFAHJT-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H8O2.2CH4O.2Cu/c4*1-6-4-2-3-5-7(6)8(9)10;2*1-2;;/h4*2-5H,1H3,(H,9,10);2*2H,1H3;;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;methanol;tetrakis(2-methylbenzoate)?
dicopper;methanol;tetrakis(2-methylbenzoate) has a molecular weight of 731.74 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;methanol;tetrakis(2-methylbenzoate) is sourced from PubChem (CID 139078733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).