copper;copper;bis(octadecanoate)

C36H70Cu2O4 — CID 157120131

IUPACcopper;copper;bis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Cu+2].[Cu]
InChIInChI=1S/2C18H36O2.2Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;;+2/p-2
InChIKeyAHWGOFOERSYTKD-UHFFFAOYSA-L
MW694.04 g/mol
LogP9.99
Rot. Bonds32

About copper;copper;bis(octadecanoate)

copper;copper;bis(octadecanoate) (PubChem CID 157120131) has the molecular formula C36H70Cu2O4 and a molecular weight of 694.04 g/mol. Its IUPAC name is copper;copper;bis(octadecanoate).

Molecular Properties

Compound Namecopper;copper;bis(octadecanoate)
PubChem CID157120131
Molecular FormulaC36H70Cu2O4
Molecular Weight694.04 g/mol
Exact Mass692.39
IUPAC Namecopper;copper;bis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Cu+2].[Cu]
InChIInChI=1S/2C18H36O2.2Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;;+2/p-2
InChIKeyAHWGOFOERSYTKD-UHFFFAOYSA-L
XLogP9.99
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.04
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

copper bis(tricosanoate)
CID 158584848
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554
decanoate;lanthanum(3+)
CID 21139452
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
manganese(2+);bis(tricosanoate)
CID 100951425

Frequently Asked Questions

What is the IUPAC name of copper;copper;bis(octadecanoate)?
The IUPAC name of copper;copper;bis(octadecanoate) (CID 157120131) is copper;copper;bis(octadecanoate).
What is the SMILES notation for copper;copper;bis(octadecanoate)?
The canonical SMILES for copper;copper;bis(octadecanoate) is CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Cu+2].[Cu].
What is the InChIKey of copper;copper;bis(octadecanoate)?
The InChIKey is AHWGOFOERSYTKD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H36O2.2Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;;+2/p-2.
What are the key properties of copper;copper;bis(octadecanoate)?
copper;copper;bis(octadecanoate) has a molecular weight of 694.04 g/mol, XLogP of 9.99, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;copper;bis(octadecanoate) is sourced from PubChem (CID 157120131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).