cobalt;(9Z,12Z)-octadeca-9,12-dienoic acid

C18H32CoO2 — CID 87070026

IUPACcobalt;(9Z,12Z)-octadeca-9,12-dienoic acid
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O.[Co]
InChIInChI=1S/C18H32O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/b7-6-,10-9-;
InChIKeyRBDFAOAAVSWYPD-NBTZWHCOSA-N
MW339.39 g/mol
LogP5.88
Rot. Bonds14

About cobalt;(9Z,12Z)-octadeca-9,12-dienoic acid

cobalt;(9Z,12Z)-octadeca-9,12-dienoic acid (PubChem CID 87070026) has the molecular formula C18H32CoO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is cobalt;(9Z,12Z)-octadeca-9,12-dienoic acid.

Molecular Properties

Compound Namecobalt;(9Z,12Z)-octadeca-9,12-dienoic acid
PubChem CID87070026
Molecular FormulaC18H32CoO2
Molecular Weight339.39 g/mol
Exact Mass339.17
IUPAC Namecobalt;(9Z,12Z)-octadeca-9,12-dienoic acid
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O.[Co]
InChIInChI=1S/C18H32O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/b7-6-,10-9-;
InChIKeyRBDFAOAAVSWYPD-NBTZWHCOSA-N
XLogP5.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.88
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 cobalt;(9Z,12Z)-octadeca-9,12-dienoic 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

tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
heptacosa-14,17-dienoic acid
CID 169276989
octacosa-10,13,16-trienoic acid
CID 169277248
(9Z,12Z,15Z)-henicosa-9,12,15-trienoic acid
CID 14647994
(23Z,26Z)-tetratriaconta-23,26-dienoic acid
CID 165284032
(10E,13E)-nonadeca-10,13-dienoic acid
CID 5312516
triaconta-18,21-dienoic acid
CID 169276961
octacosa-15,18-dienoic acid
CID 169277492
(7Z)-docosa-7,10,13,16-tetraenoic acid
CID 87131782
(7Z,13Z,16Z)-docosa-7,13,16-trienoic acid
CID 52922002
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoic acid
CID 52921800

Frequently Asked Questions

What is the IUPAC name of cobalt;(9Z,12Z)-octadeca-9,12-dienoic acid?
The IUPAC name of cobalt;(9Z,12Z)-octadeca-9,12-dienoic acid (CID 87070026) is cobalt;(9Z,12Z)-octadeca-9,12-dienoic acid.
What is the SMILES notation for cobalt;(9Z,12Z)-octadeca-9,12-dienoic acid?
The canonical SMILES for cobalt;(9Z,12Z)-octadeca-9,12-dienoic acid is CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.[Co].
What is the InChIKey of cobalt;(9Z,12Z)-octadeca-9,12-dienoic acid?
The InChIKey is RBDFAOAAVSWYPD-NBTZWHCOSA-N. The full InChI is InChI=1S/C18H32O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/b7-6-,10-9-;.
What are the key properties of cobalt;(9Z,12Z)-octadeca-9,12-dienoic acid?
cobalt;(9Z,12Z)-octadeca-9,12-dienoic acid has a molecular weight of 339.39 g/mol, XLogP of 5.88, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;(9Z,12Z)-octadeca-9,12-dienoic acid is sourced from PubChem (CID 87070026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).