cobalt(3+);hexoxy(hexyl)phosphinate

C36H78CoO9P3 — CID 140747230

IUPACcobalt(3+);hexoxy(hexyl)phosphinate
SMILESCCCCCCOP(=O)([O-])CCCCCC.CCCCCCOP(=O)([O-])CCCCCC.CCCCCCOP(=O)([O-])CCCCCC.[Co+3]
InChIInChI=1S/3C12H27O3P.Co/c3*1-3-5-7-9-11-15-16(13,14)12-10-8-6-4-2;/h3*3-12H2,1-2H3,(H,13,14);/q;;;+3/p-3
InChIKeyAWNXPDHPURMCSF-UHFFFAOYSA-K
MW806.87 g/mol
LogP11.15
Rot. Bonds33

About cobalt(3+);hexoxy(hexyl)phosphinate

cobalt(3+);hexoxy(hexyl)phosphinate (PubChem CID 140747230) has the molecular formula C36H78CoO9P3 and a molecular weight of 806.87 g/mol. Its IUPAC name is cobalt(3+);hexoxy(hexyl)phosphinate.

Molecular Properties

Compound Namecobalt(3+);hexoxy(hexyl)phosphinate
PubChem CID140747230
Molecular FormulaC36H78CoO9P3
Molecular Weight806.87 g/mol
Exact Mass806.42
IUPAC Namecobalt(3+);hexoxy(hexyl)phosphinate
SMILESCCCCCCOP(=O)([O-])CCCCCC.CCCCCCOP(=O)([O-])CCCCCC.CCCCCCOP(=O)([O-])CCCCCC.[Co+3]
InChIInChI=1S/3C12H27O3P.Co/c3*1-3-5-7-9-11-15-16(13,14)12-10-8-6-4-2;/h3*3-12H2,1-2H3,(H,13,14);/q;;;+3/p-3
InChIKeyAWNXPDHPURMCSF-UHFFFAOYSA-K
XLogP11.15
TPSA148.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds33
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.87
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

hexoxy(hexyl)phosphinate;iron(2+)
CID 87602875
hexoxy(hexyl)phosphinate;nickel(2+)
CID 87135978
sodium octoxy(octyl)phosphinate
CID 139819934
2-hydroxyethoxy(tetradecyl)phosphinate
CID 71443061
sodium ethoxy(tridecyl)phosphinate
CID 90661205
diicosyl phosphate
CID 21219883
dipotassium;tetradecyl phosphate
CID 11089999
1-dioctoxyphosphoryldecane
CID 141369437
dilithium;tridecyl phosphate
CID 159999815
beryllium bis(dihexadecyl phosphate)
CID 102241208
calcium dotriacontyl phosphate
CID 164901019
dilithium;tetradecyl phosphate
CID 139820221

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);hexoxy(hexyl)phosphinate?
The IUPAC name of cobalt(3+);hexoxy(hexyl)phosphinate (CID 140747230) is cobalt(3+);hexoxy(hexyl)phosphinate.
What is the SMILES notation for cobalt(3+);hexoxy(hexyl)phosphinate?
The canonical SMILES for cobalt(3+);hexoxy(hexyl)phosphinate is CCCCCCOP(=O)([O-])CCCCCC.CCCCCCOP(=O)([O-])CCCCCC.CCCCCCOP(=O)([O-])CCCCCC.[Co+3].
What is the InChIKey of cobalt(3+);hexoxy(hexyl)phosphinate?
The InChIKey is AWNXPDHPURMCSF-UHFFFAOYSA-K. The full InChI is InChI=1S/3C12H27O3P.Co/c3*1-3-5-7-9-11-15-16(13,14)12-10-8-6-4-2;/h3*3-12H2,1-2H3,(H,13,14);/q;;;+3/p-3.
What are the key properties of cobalt(3+);hexoxy(hexyl)phosphinate?
cobalt(3+);hexoxy(hexyl)phosphinate has a molecular weight of 806.87 g/mol, XLogP of 11.15, 33 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);hexoxy(hexyl)phosphinate is sourced from PubChem (CID 140747230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).