copper bis(tricosanoate)

C46H90CuO4 — CID 158584848

IUPACcopper bis(tricosanoate)
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Cu+2]
InChIInChI=1S/2C23H46O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;/h2*2-22H2,1H3,(H,24,25);/q;;+2/p-2
InChIKeyHTRVUEXJTGFRNL-UHFFFAOYSA-L
MW770.77 g/mol
LogP13.89
Rot. Bonds42

About copper bis(tricosanoate)

copper bis(tricosanoate) (PubChem CID 158584848) has the molecular formula C46H90CuO4 and a molecular weight of 770.77 g/mol. Its IUPAC name is copper bis(tricosanoate).

Molecular Properties

Compound Namecopper bis(tricosanoate)
PubChem CID158584848
Molecular FormulaC46H90CuO4
Molecular Weight770.77 g/mol
Exact Mass769.61
IUPAC Namecopper bis(tricosanoate)
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Cu+2]
InChIInChI=1S/2C23H46O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;/h2*2-22H2,1H3,(H,24,25);/q;;+2/p-2
InChIKeyHTRVUEXJTGFRNL-UHFFFAOYSA-L
XLogP13.89
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds42
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.77
LogP ≤ 513.89
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;copper;bis(octadecanoate)
CID 157120131
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554
manganese(2+);bis(tricosanoate)
CID 100951425
decanoate;lanthanum(3+)
CID 21139452

Frequently Asked Questions

What is the IUPAC name of copper bis(tricosanoate)?
The IUPAC name of copper bis(tricosanoate) (CID 158584848) is copper bis(tricosanoate).
What is the SMILES notation for copper bis(tricosanoate)?
The canonical SMILES for copper bis(tricosanoate) is CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Cu+2].
What is the InChIKey of copper bis(tricosanoate)?
The InChIKey is HTRVUEXJTGFRNL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C23H46O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;/h2*2-22H2,1H3,(H,24,25);/q;;+2/p-2.
What are the key properties of copper bis(tricosanoate)?
copper bis(tricosanoate) has a molecular weight of 770.77 g/mol, XLogP of 13.89, 42 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(tricosanoate) is sourced from PubChem (CID 158584848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).