tetrakis(diethylphosphinate);titanium(4+)

C16H40O8P4Ti — CID 86595913

IUPACtetrakis(diethylphosphinate);titanium(4+)
SMILESCCP(=O)([O-])CC.CCP(=O)([O-])CC.CCP(=O)([O-])CC.CCP(=O)([O-])CC.[Ti+4]
InChIInChI=1S/4C4H11O2P.Ti/c4*1-3-7(5,6)4-2;/h4*3-4H2,1-2H3,(H,5,6);/q;;;;+4/p-4
InChIKeyHFVKYLPSHXAMME-UHFFFAOYSA-J
MW532.25 g/mol
LogP2.66
Rot. Bonds8

About tetrakis(diethylphosphinate);titanium(4+)

tetrakis(diethylphosphinate);titanium(4+) (PubChem CID 86595913) has the molecular formula C16H40O8P4Ti and a molecular weight of 532.25 g/mol. Its IUPAC name is tetrakis(diethylphosphinate);titanium(4+).

Molecular Properties

Compound Nametetrakis(diethylphosphinate);titanium(4+)
PubChem CID86595913
Molecular FormulaC16H40O8P4Ti
Molecular Weight532.25 g/mol
Exact Mass532.12
IUPAC Nametetrakis(diethylphosphinate);titanium(4+)
SMILESCCP(=O)([O-])CC.CCP(=O)([O-])CC.CCP(=O)([O-])CC.CCP(=O)([O-])CC.[Ti+4]
InChIInChI=1S/4C4H11O2P.Ti/c4*1-3-7(5,6)4-2;/h4*3-4H2,1-2H3,(H,5,6);/q;;;;+4/p-4
InChIKeyHFVKYLPSHXAMME-UHFFFAOYSA-J
XLogP2.66
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

diethylphosphinate
CID 159335352
hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)
CID 176986866
aluminum;diethylphosphinate;terephthalate
CID 68742524
dialuminum;butyl(ethyl)phosphinate;ethyl(methyl)phosphinate
CID 161477134
butane;lanthanum(3+);phosphate
CID 118953489
tetrakis(dibutylphosphinate);tin(4+)
CID 175973447
potassium;dihydrogen phosphate;ethanol
CID 160928957
tris(titanium(4+));tungsten;decaphosphate
CID 173472598
tris(titanium(4+));tetraphosphate;dihydrate
CID 172694967
aluminum tris(dipentylphosphinate)
CID 175031786
bis(dipentylphosphinate);nickel(2+)
CID 22743871
tetrasodium ethyl phosphate
CID 141178132

Frequently Asked Questions

What is the IUPAC name of tetrakis(diethylphosphinate);titanium(4+)?
The IUPAC name of tetrakis(diethylphosphinate);titanium(4+) (CID 86595913) is tetrakis(diethylphosphinate);titanium(4+).
What is the SMILES notation for tetrakis(diethylphosphinate);titanium(4+)?
The canonical SMILES for tetrakis(diethylphosphinate);titanium(4+) is CCP(=O)([O-])CC.CCP(=O)([O-])CC.CCP(=O)([O-])CC.CCP(=O)([O-])CC.[Ti+4].
What is the InChIKey of tetrakis(diethylphosphinate);titanium(4+)?
The InChIKey is HFVKYLPSHXAMME-UHFFFAOYSA-J. The full InChI is InChI=1S/4C4H11O2P.Ti/c4*1-3-7(5,6)4-2;/h4*3-4H2,1-2H3,(H,5,6);/q;;;;+4/p-4.
What are the key properties of tetrakis(diethylphosphinate);titanium(4+)?
tetrakis(diethylphosphinate);titanium(4+) has a molecular weight of 532.25 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(diethylphosphinate);titanium(4+) is sourced from PubChem (CID 86595913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).