copper bis((Z)-octadec-9-enoate)

C36H66CuO4 — CID 6436661

IUPACcopper bis((Z)-octadec-9-enoate)
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Cu+2]
InChIInChI=1S/2C18H34O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;
InChIKeySVOAENZIOKPANY-CVBJKYQLSA-L
MW626.47 g/mol
LogP9.55
Rot. Bonds30

About copper bis((Z)-octadec-9-enoate)

copper bis((Z)-octadec-9-enoate) (PubChem CID 6436661) has the molecular formula C36H66CuO4 and a molecular weight of 626.47 g/mol. Its IUPAC name is copper bis((Z)-octadec-9-enoate).

Molecular Properties

Compound Namecopper bis((Z)-octadec-9-enoate)
PubChem CID6436661
Molecular FormulaC36H66CuO4
Molecular Weight626.47 g/mol
Exact Mass625.43
IUPAC Namecopper bis((Z)-octadec-9-enoate)
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Cu+2]
InChIInChI=1S/2C18H34O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;
InChIKeySVOAENZIOKPANY-CVBJKYQLSA-L
XLogP9.55
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.47
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze copper bis((Z)-octadec-9-enoate) with MolForge

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

Launch Full Analysis

Related Compounds

copper bis((Z)-octadec-11-enoate)
CID 175691872
(E)-triacont-15-enoate
CID 59800253
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
iron(3+);(Z)-octadec-9-enoate
CID 22297787
tris(octadec-9-enoate);thulium(3+)
CID 173065522
lithium (Z)-octadec-9-enoate
CID 23673654
tris((Z)-icos-9-enoate);scandium(3+)
CID 175691845
erbium(3+);tris((Z)-octadec-11-enoate)
CID 175691885
potassium (E)-(1,2,3,7,8-13C5)octadec-9-enoate
CID 71309848
holmium(3+);tris((Z)-octadec-9-enoate)
CID 173065426
tris((Z)-icos-9-enoate);indium(3+)
CID 175691542

Frequently Asked Questions

What is the IUPAC name of copper bis((Z)-octadec-9-enoate)?
The IUPAC name of copper bis((Z)-octadec-9-enoate) (CID 6436661) is copper bis((Z)-octadec-9-enoate).
What is the SMILES notation for copper bis((Z)-octadec-9-enoate)?
The canonical SMILES for copper bis((Z)-octadec-9-enoate) is CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Cu+2].
What is the InChIKey of copper bis((Z)-octadec-9-enoate)?
The InChIKey is SVOAENZIOKPANY-CVBJKYQLSA-L. The full InChI is InChI=1S/2C18H34O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;.
What are the key properties of copper bis((Z)-octadec-9-enoate)?
copper bis((Z)-octadec-9-enoate) has a molecular weight of 626.47 g/mol, XLogP of 9.55, 30 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis((Z)-octadec-9-enoate) is sourced from PubChem (CID 6436661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).