cobalt(2+);bis(dioctadecylphosphinate)

C72H148CoO4P2 — CID 140747214

IUPACcobalt(2+);bis(dioctadecylphosphinate)
SMILESCCCCCCCCCCCCCCCCCCP(=O)([O-])CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCP(=O)([O-])CCCCCCCCCCCCCCCCCC.[Co+2]
InChIInChI=1S/2C36H75O2P.Co/c2*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;/h2*3-36H2,1-2H3,(H,37,38);/q;;+2/p-2
InChIKeyBGCHFYFLZMSQFP-UHFFFAOYSA-L
MW1198.85 g/mol
LogP26.29
Rot. Bonds68

About cobalt(2+);bis(dioctadecylphosphinate)

cobalt(2+);bis(dioctadecylphosphinate) (PubChem CID 140747214) has the molecular formula C72H148CoO4P2 and a molecular weight of 1198.85 g/mol. Its IUPAC name is cobalt(2+);bis(dioctadecylphosphinate).

Molecular Properties

Compound Namecobalt(2+);bis(dioctadecylphosphinate)
PubChem CID140747214
Molecular FormulaC72H148CoO4P2
Molecular Weight1198.85 g/mol
Exact Mass1198.02
IUPAC Namecobalt(2+);bis(dioctadecylphosphinate)
SMILESCCCCCCCCCCCCCCCCCCP(=O)([O-])CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCP(=O)([O-])CCCCCCCCCCCCCCCCCC.[Co+2]
InChIInChI=1S/2C36H75O2P.Co/c2*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;/h2*3-36H2,1-2H3,(H,37,38);/q;;+2/p-2
InChIKeyBGCHFYFLZMSQFP-UHFFFAOYSA-L
XLogP26.29
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds68
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001198.85
LogP ≤ 526.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

aluminum tris(didecylphosphinate)
CID 175205611
sodium dioctylphosphinate
CID 23691904
bis(dioctylphosphinate);nickel(2+)
CID 22743879
calcium bis(dihexylphosphinate)
CID 170549963
bis(diheptylphosphinate);nickel(2+)
CID 22743867
bis(dipentylphosphinate);nickel(2+)
CID 22743871
aluminum tris(dipentylphosphinate)
CID 175031786
tetrakis(dibutylphosphinate);tin(4+)
CID 175973447
tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+)
CID 140747194
dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
CID 23340104
calcium hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(dioctadecylphosphinate)?
The IUPAC name of cobalt(2+);bis(dioctadecylphosphinate) (CID 140747214) is cobalt(2+);bis(dioctadecylphosphinate).
What is the SMILES notation for cobalt(2+);bis(dioctadecylphosphinate)?
The canonical SMILES for cobalt(2+);bis(dioctadecylphosphinate) is CCCCCCCCCCCCCCCCCCP(=O)([O-])CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCP(=O)([O-])CCCCCCCCCCCCCCCCCC.[Co+2].
What is the InChIKey of cobalt(2+);bis(dioctadecylphosphinate)?
The InChIKey is BGCHFYFLZMSQFP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C36H75O2P.Co/c2*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;/h2*3-36H2,1-2H3,(H,37,38);/q;;+2/p-2.
What are the key properties of cobalt(2+);bis(dioctadecylphosphinate)?
cobalt(2+);bis(dioctadecylphosphinate) has a molecular weight of 1198.85 g/mol, XLogP of 26.29, 68 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(dioctadecylphosphinate) is sourced from PubChem (CID 140747214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).