dicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate)

C52H68Cu2O8 — CID 165342092

IUPACdicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate)
SMILESCC(C)Cc1ccc(C(C)C(=O)[O-])cc1.CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.[Cu+2].[Cu+2]
InChIInChI=1S/4C13H18O2.2Cu/c4*1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;;/h4*4-7,9-10H,8H2,1-3H3,(H,14,15);;/q;;;;2*+2/p-4
InChIKeyNCBJOFQRWSRJPO-UHFFFAOYSA-J
MW948.20 g/mol
LogP6.95
Rot. Bonds16

About dicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate)

dicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate) (PubChem CID 165342092) has the molecular formula C52H68Cu2O8 and a molecular weight of 948.20 g/mol. Its IUPAC name is dicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate).

Molecular Properties

Compound Namedicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate)
PubChem CID165342092
Molecular FormulaC52H68Cu2O8
Molecular Weight948.20 g/mol
Exact Mass946.35
IUPAC Namedicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate)
SMILESCC(C)Cc1ccc(C(C)C(=O)[O-])cc1.CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.[Cu+2].[Cu+2]
InChIInChI=1S/4C13H18O2.2Cu/c4*1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;;/h4*4-7,9-10H,8H2,1-3H3,(H,14,15);;/q;;;;2*+2/p-4
InChIKeyNCBJOFQRWSRJPO-UHFFFAOYSA-J
XLogP6.95
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.20
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze dicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate)?
The IUPAC name of dicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate) (CID 165342092) is dicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate).
What is the SMILES notation for dicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate)?
The canonical SMILES for dicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate) is CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate)?
The InChIKey is NCBJOFQRWSRJPO-UHFFFAOYSA-J. The full InChI is InChI=1S/4C13H18O2.2Cu/c4*1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;;/h4*4-7,9-10H,8H2,1-3H3,(H,14,15);;/q;;;;2*+2/p-4.
What are the key properties of dicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate)?
dicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate) has a molecular weight of 948.20 g/mol, XLogP of 6.95, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(2-[4-(2-methylpropyl)phenyl]propanoate) is sourced from PubChem (CID 165342092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).