sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate

C50H95CoNaO6 — CID 173324168

IUPACsodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate
SMILESCCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Co+2].[Na+]
InChIInChI=1S/C18H36O2.C18H34O2.C14H28O2.Co.Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h2-17H2,1H3,(H,19,20);9-10H,2-8,11-17H2,1H3,(H,19,20);2-13H2,1H3,(H,15,16);;/q;;;+2;+1/p-3
InChIKeyLYSNOQGNWCIOAD-UHFFFAOYSA-K
MW874.23 g/mol
LogP10.21
Rot. Bonds43

About sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate

sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate (PubChem CID 173324168) has the molecular formula C50H95CoNaO6 and a molecular weight of 874.23 g/mol. Its IUPAC name is sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate.

Molecular Properties

Compound Namesodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate
PubChem CID173324168
Molecular FormulaC50H95CoNaO6
Molecular Weight874.23 g/mol
Exact Mass873.64
IUPAC Namesodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate
SMILESCCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Co+2].[Na+]
InChIInChI=1S/C18H36O2.C18H34O2.C14H28O2.Co.Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h2-17H2,1H3,(H,19,20);9-10H,2-8,11-17H2,1H3,(H,19,20);2-13H2,1H3,(H,15,16);;/q;;;+2;+1/p-3
InChIKeyLYSNOQGNWCIOAD-UHFFFAOYSA-K
XLogP10.21
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds43
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.23
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

cobalt(2+);(Z)-octadec-9-enoate
CID 20839514
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
(E)-triacont-15-enoate
CID 59800253
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
tris((Z)-icos-9-enoate);scandium(3+)
CID 175691845
holmium(3+);tris((Z)-octadec-9-enoate)
CID 173065426
copper bis((Z)-octadec-11-enoate)
CID 175691872
copper bis((Z)-octadec-9-enoate)
CID 6436661
potassium (E)-(1,2,3,7,8-13C5)octadec-9-enoate
CID 71309848
erbium(3+);tris((Z)-octadec-11-enoate)
CID 175691885
tris((Z)-icos-9-enoate);indium(3+)
CID 175691542
iron(2+);bis((Z)-octadec-11-enoate)
CID 175691867

Frequently Asked Questions

What is the IUPAC name of sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate?
The IUPAC name of sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate (CID 173324168) is sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate.
What is the SMILES notation for sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate?
The canonical SMILES for sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate is CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Co+2].[Na+].
What is the InChIKey of sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate?
The InChIKey is LYSNOQGNWCIOAD-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H36O2.C18H34O2.C14H28O2.Co.Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h2-17H2,1H3,(H,19,20);9-10H,2-8,11-17H2,1H3,(H,19,20);2-13H2,1H3,(H,15,16);;/q;;;+2;+1/p-3.
What are the key properties of sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate?
sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate has a molecular weight of 874.23 g/mol, XLogP of 10.21, 43 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate is sourced from PubChem (CID 173324168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).