cobalt(2+);bis(octadecyl-oxido-oxophosphanium)

C36H74CoO4P2+2 — CID 140747211

IUPACcobalt(2+);bis(octadecyl-oxido-oxophosphanium)
SMILESCCCCCCCCCCCCCCCCCC[P+](=O)[O-].CCCCCCCCCCCCCCCCCC[P+](=O)[O-].[Co+2]
InChIInChI=1S/2C18H37O2P.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19)20;/h2*2-18H2,1H3;/q;;+2
InChIKeyHKZBMRXNFPLEQO-UHFFFAOYSA-N
MW691.86 g/mol
LogP12.70
Rot. Bonds34

About cobalt(2+);bis(octadecyl-oxido-oxophosphanium)

cobalt(2+);bis(octadecyl-oxido-oxophosphanium) (PubChem CID 140747211) has the molecular formula C36H74CoO4P2+2 and a molecular weight of 691.86 g/mol. Its IUPAC name is cobalt(2+);bis(octadecyl-oxido-oxophosphanium).

Molecular Properties

Compound Namecobalt(2+);bis(octadecyl-oxido-oxophosphanium)
PubChem CID140747211
Molecular FormulaC36H74CoO4P2+2
Molecular Weight691.86 g/mol
Exact Mass691.44
IUPAC Namecobalt(2+);bis(octadecyl-oxido-oxophosphanium)
SMILESCCCCCCCCCCCCCCCCCC[P+](=O)[O-].CCCCCCCCCCCCCCCCCC[P+](=O)[O-].[Co+2]
InChIInChI=1S/2C18H37O2P.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19)20;/h2*2-18H2,1H3;/q;;+2
InChIKeyHKZBMRXNFPLEQO-UHFFFAOYSA-N
XLogP12.70
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds34
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.86
LogP ≤ 512.70
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

bis(heptyl-oxido-oxophosphanium);iron(2+)
CID 87602335
sodium octadecyl-oxido-oxophosphanium
CID 88687817
chromium(2+);bis(oxido-oxo-pentylphosphanium)
CID 18626741
hydroxy-octyl-oxophosphanium;nickel
CID 87136142
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
disulfanyl-hexyl-oxophosphanium
CID 175340407
dioxido(oxo)phosphanium;heptane;neodymium(3+)
CID 162000198
disodium;decane;selenite
CID 174911287
ethoxy-octyl-oxophosphanium
CID 14512429
bis(dodecoxy-oxido-oxophosphanium);iron(2+)
CID 87602903
oxido-oxo-tetracosoxyphosphanium
CID 57352033

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(octadecyl-oxido-oxophosphanium)?
The IUPAC name of cobalt(2+);bis(octadecyl-oxido-oxophosphanium) (CID 140747211) is cobalt(2+);bis(octadecyl-oxido-oxophosphanium).
What is the SMILES notation for cobalt(2+);bis(octadecyl-oxido-oxophosphanium)?
The canonical SMILES for cobalt(2+);bis(octadecyl-oxido-oxophosphanium) is CCCCCCCCCCCCCCCCCC[P+](=O)[O-].CCCCCCCCCCCCCCCCCC[P+](=O)[O-].[Co+2].
What is the InChIKey of cobalt(2+);bis(octadecyl-oxido-oxophosphanium)?
The InChIKey is HKZBMRXNFPLEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H37O2P.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19)20;/h2*2-18H2,1H3;/q;;+2.
What are the key properties of cobalt(2+);bis(octadecyl-oxido-oxophosphanium)?
cobalt(2+);bis(octadecyl-oxido-oxophosphanium) has a molecular weight of 691.86 g/mol, XLogP of 12.70, 34 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(octadecyl-oxido-oxophosphanium) is sourced from PubChem (CID 140747211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).