copper;(Z)-docos-13-enoic acid

C22H42CuO2 — CID 174615859

IUPACcopper;(Z)-docos-13-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O.[Cu]
InChIInChI=1S/C22H42O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h9-10H,2-8,11-21H2,1H3,(H,23,24);/b10-9-;
InChIKeyYRFVCRGEEQHOKI-KVVVOXFISA-N
MW402.12 g/mol
LogP7.67
Rot. Bonds19

About copper;(Z)-docos-13-enoic acid

copper;(Z)-docos-13-enoic acid (PubChem CID 174615859) has the molecular formula C22H42CuO2 and a molecular weight of 402.12 g/mol. Its IUPAC name is copper;(Z)-docos-13-enoic acid.

Molecular Properties

Compound Namecopper;(Z)-docos-13-enoic acid
PubChem CID174615859
Molecular FormulaC22H42CuO2
Molecular Weight402.12 g/mol
Exact Mass401.25
IUPAC Namecopper;(Z)-docos-13-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O.[Cu]
InChIInChI=1S/C22H42O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h9-10H,2-8,11-21H2,1H3,(H,23,24);/b10-9-;
InChIKeyYRFVCRGEEQHOKI-KVVVOXFISA-N
XLogP7.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.12
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze copper;(Z)-docos-13-enoic acid 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;iron;(Z)-octadec-9-enoic acid
CID 174924347
triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352

Frequently Asked Questions

What is the IUPAC name of copper;(Z)-docos-13-enoic acid?
The IUPAC name of copper;(Z)-docos-13-enoic acid (CID 174615859) is copper;(Z)-docos-13-enoic acid.
What is the SMILES notation for copper;(Z)-docos-13-enoic acid?
The canonical SMILES for copper;(Z)-docos-13-enoic acid is CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O.[Cu].
What is the InChIKey of copper;(Z)-docos-13-enoic acid?
The InChIKey is YRFVCRGEEQHOKI-KVVVOXFISA-N. The full InChI is InChI=1S/C22H42O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h9-10H,2-8,11-21H2,1H3,(H,23,24);/b10-9-;.
What are the key properties of copper;(Z)-docos-13-enoic acid?
copper;(Z)-docos-13-enoic acid has a molecular weight of 402.12 g/mol, XLogP of 7.67, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(Z)-docos-13-enoic acid is sourced from PubChem (CID 174615859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).