dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+)

CH2Cl2O10P4Ti+4 — CID 159631897

IUPACdichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+)
SMILESClCCl.O=[P+]([O-])O[P+](=O)[O-].O=[P+]([O-])O[P+](=O)[O-].[Ti+4]
InChIInChI=1S/CH2Cl2.2O5P2.Ti/c2-1-3;2*1-6(2)5-7(3)4;/h1H2;;;/q;;;+4
InChIKeyABBNIEGOPNTKGE-UHFFFAOYSA-N
MW416.69 g/mol
LogP-0.50
Rot. Bonds4

About dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+)

dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+) (PubChem CID 159631897) has the molecular formula CH2Cl2O10P4Ti+4 and a molecular weight of 416.69 g/mol. Its IUPAC name is dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+).

Molecular Properties

Compound Namedichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+)
PubChem CID159631897
Molecular FormulaCH2Cl2O10P4Ti+4
Molecular Weight416.69 g/mol
Exact Mass415.74
IUPAC Namedichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+)
SMILESClCCl.O=[P+]([O-])O[P+](=O)[O-].O=[P+]([O-])O[P+](=O)[O-].[Ti+4]
InChIInChI=1S/CH2Cl2.2O5P2.Ti/c2-1-3;2*1-6(2)5-7(3)4;/h1H2;;;/q;;;+4
InChIKeyABBNIEGOPNTKGE-UHFFFAOYSA-N
XLogP-0.50
TPSA178.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.69
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;dichloromethane;oxido-oxo-phosphooxyphosphanium
CID 159198248
dichloromethane;hafnium(4+);bis(oxido-oxo-phosphooxyphosphanium)
CID 157120314
beryllium;chloromethanol;oxido-oxo-phosphooxyphosphanium
CID 88722712
barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium
CID 88680050
calcium oxido-oxo-phosphooxyphosphanium
CID 172778798
trisodium;oxido-oxo-phosphooxyphosphanium
CID 158317183
magnesium oxido-oxo-phosphooxyphosphanium
CID 158072289
tris(oxido-oxo-phosphooxyphosphanium);bis(rhodium(3+))
CID 175590921
2-chloroethanol;oxido-oxo-phosphooxyphosphanium;silver
CID 88679163
chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium
CID 88679481
barium(2+);dibromomethane;oxido-oxo-phosphooxyphosphanium
CID 88679802
zinc;methanol;oxido-oxo-phosphooxyphosphanium
CID 88679931

Frequently Asked Questions

What is the IUPAC name of dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+)?
The IUPAC name of dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+) (CID 159631897) is dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+).
What is the SMILES notation for dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+)?
The canonical SMILES for dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+) is ClCCl.O=[P+]([O-])O[P+](=O)[O-].O=[P+]([O-])O[P+](=O)[O-].[Ti+4].
What is the InChIKey of dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+)?
The InChIKey is ABBNIEGOPNTKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl2.2O5P2.Ti/c2-1-3;2*1-6(2)5-7(3)4;/h1H2;;;/q;;;+4.
What are the key properties of dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+)?
dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+) has a molecular weight of 416.69 g/mol, XLogP of -0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+) is sourced from PubChem (CID 159631897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).