tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+)

C108H210CoO6P3 — CID 140747194

IUPACtris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+)
SMILESCCCCCCCC/C=C\CCCCCCCCP(=O)([O-])CCCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCCP(=O)([O-])CCCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCCP(=O)([O-])CCCCCCCC/C=C\CCCCCCCC.[Co+3]
InChIInChI=1S/3C36H71O2P.Co/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37,38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3*17-20H,3-16,21-36H2,1-2H3,(H,37,38);/q;;;+3/p-3/b3*19-17-,20-18-;
InChIKeyWPMOCYYVCPSJES-WJUSBNTKSA-K
MW1756.72 g/mol
LogP38.10
Rot. Bonds96

About tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+)

tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+) (PubChem CID 140747194) has the molecular formula C108H210CoO6P3 and a molecular weight of 1756.72 g/mol. Its IUPAC name is tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+).

Molecular Properties

Compound Nametris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+)
PubChem CID140747194
Molecular FormulaC108H210CoO6P3
Molecular Weight1756.72 g/mol
Exact Mass1755.47
IUPAC Nametris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+)
SMILESCCCCCCCC/C=C\CCCCCCCCP(=O)([O-])CCCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCCP(=O)([O-])CCCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCCP(=O)([O-])CCCCCCCC/C=C\CCCCCCCC.[Co+3]
InChIInChI=1S/3C36H71O2P.Co/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37,38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3*17-20H,3-16,21-36H2,1-2H3,(H,37,38);/q;;;+3/p-3/b3*19-17-,20-18-;
InChIKeyWPMOCYYVCPSJES-WJUSBNTKSA-K
XLogP38.10
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds96
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001756.72
LogP ≤ 538.10
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane
CID 6454180
sodium dioctylphosphinate
CID 23691904
bis(dioctylphosphinate);nickel(2+)
CID 22743879
aluminum tris(didecylphosphinate)
CID 175205611
cobalt(2+);bis(dioctadecylphosphinate)
CID 140747214
calcium bis(dihexylphosphinate)
CID 170549963
aluminum tris(dipentylphosphinate)
CID 175031786
bis(dipentylphosphinate);nickel(2+)
CID 22743871
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-hexadec-6-ene
CID 5352260
(E)-nonacos-10-ene
CID 14367300

Frequently Asked Questions

What is the IUPAC name of tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+)?
The IUPAC name of tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+) (CID 140747194) is tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+).
What is the SMILES notation for tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+)?
The canonical SMILES for tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+) is CCCCCCCC/C=C\CCCCCCCCP(=O)([O-])CCCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCCP(=O)([O-])CCCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCCP(=O)([O-])CCCCCCCC/C=C\CCCCCCCC.[Co+3].
What is the InChIKey of tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+)?
The InChIKey is WPMOCYYVCPSJES-WJUSBNTKSA-K. The full InChI is InChI=1S/3C36H71O2P.Co/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37,38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3*17-20H,3-16,21-36H2,1-2H3,(H,37,38);/q;;;+3/p-3/b3*19-17-,20-18-;.
What are the key properties of tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+)?
tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+) has a molecular weight of 1756.72 g/mol, XLogP of 38.10, 96 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+) is sourced from PubChem (CID 140747194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).