dicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate)

C58H82Cu2N2O10 — CID 139206931

IUPACdicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate)
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)[O-])cc1.CC(C)Cc1ccc([C@@H](C)C(=O)[O-])cc1.CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1.CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1.CN(C)C=O.CN(C)C=O.[Cu+2].[Cu+2]
InChIInChI=1S/4C13H18O2.2C3H7NO.2Cu/c4*1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;2*1-4(2)3-5;;/h4*4-7,9-10H,8H2,1-3H3,(H,14,15);2*3H,1-2H3;;/q;;;;;;2*+2/p-4/t4*10-;;;;/m1100..../s1
InChIKeyRGFSXOWYEAJHPO-DUAPSQDYSA-J
MW1094.39 g/mol
LogP6.36
Rot. Bonds18

About dicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate)

dicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate) (PubChem CID 139206931) has the molecular formula C58H82Cu2N2O10 and a molecular weight of 1094.39 g/mol. Its IUPAC name is dicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate).

Molecular Properties

Compound Namedicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate)
PubChem CID139206931
Molecular FormulaC58H82Cu2N2O10
Molecular Weight1094.39 g/mol
Exact Mass1092.46
IUPAC Namedicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate)
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)[O-])cc1.CC(C)Cc1ccc([C@@H](C)C(=O)[O-])cc1.CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1.CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1.CN(C)C=O.CN(C)C=O.[Cu+2].[Cu+2]
InChIInChI=1S/4C13H18O2.2C3H7NO.2Cu/c4*1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;2*1-4(2)3-5;;/h4*4-7,9-10H,8H2,1-3H3,(H,14,15);2*3H,1-2H3;;/q;;;;;;2*+2/p-4/t4*10-;;;;/m1100..../s1
InChIKeyRGFSXOWYEAJHPO-DUAPSQDYSA-J
XLogP6.36
TPSA201.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001094.39
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Tetrakis(mu-phenylacetato-kappa^2^O:O')bis[(N,N-dimethylformamide-kappaO)copper(II)]
CID 139068654
Tetrakis(mu-naphthalene-1-acetato-kappa^2^O:O')bis[(N,N-dimethylformamide-kappaO)copper(II)] N,N-dimethylformamide disolvate
CID 139070554
Tetrakis(mu-naphthalene-1-acetato-kappa^2^O:O')bis[(N,N-dimethylformamide-kappaO)copper(II)]
CID 139083190
dicopper;bis(N,N-dimethylformamide);tetrabenzoate
CID 139134266
Copper, tetrakis[I(1/4)-[I+/--methyl-4-(2-methylpropyl)benzeneacetato-I masculineO:I masculineOa(2)]]di-, (Cu-Cu)
CID 165342092

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate)?
The IUPAC name of dicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate) (CID 139206931) is dicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate).
What is the SMILES notation for dicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate)?
The canonical SMILES for dicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate) is CC(C)Cc1ccc([C@@H](C)C(=O)[O-])cc1.CC(C)Cc1ccc([C@@H](C)C(=O)[O-])cc1.CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1.CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1.CN(C)C=O.CN(C)C=O.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate)?
The InChIKey is RGFSXOWYEAJHPO-DUAPSQDYSA-J. The full InChI is InChI=1S/4C13H18O2.2C3H7NO.2Cu/c4*1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;2*1-4(2)3-5;;/h4*4-7,9-10H,8H2,1-3H3,(H,14,15);2*3H,1-2H3;;/q;;;;;;2*+2/p-4/t4*10-;;;;/m1100..../s1.
What are the key properties of dicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate)?
dicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate) has a molecular weight of 1094.39 g/mol, XLogP of 6.36, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(N,N-dimethylformamide);bis((2R)-2-[4-(2-methylpropyl)phenyl]propanoate);bis((2S)-2-[4-(2-methylpropyl)phenyl]propanoate) is sourced from PubChem (CID 139206931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).