[dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium

C5H10Cl2O6P2-2 — CID 136898874

IUPAC[dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium
SMILESCCO[P+]([O-])(OCC)C(Cl)(Cl)[P+]([O-])([O-])[O-]
InChIInChI=1S/C5H12Cl2O6P2/c1-3-12-15(11,13-4-2)5(6,7)14(8,9)10/h3-4H2,1-2H3,(H2,8,9,10)/p-2
InChIKeyXFTAKJLFJVBAHV-UHFFFAOYSA-L
MW298.98 g/mol
LogP-0.89
Rot. Bonds6

About [dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium

[dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium (PubChem CID 136898874) has the molecular formula C5H10Cl2O6P2-2 and a molecular weight of 298.98 g/mol. Its IUPAC name is [dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium.

Molecular Properties

Compound Name[dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium
PubChem CID136898874
Molecular FormulaC5H10Cl2O6P2-2
Molecular Weight298.98 g/mol
Exact Mass297.93
IUPAC Name[dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium
SMILESCCO[P+]([O-])(OCC)C(Cl)(Cl)[P+]([O-])([O-])[O-]
InChIInChI=1S/C5H12Cl2O6P2/c1-3-12-15(11,13-4-2)5(6,7)14(8,9)10/h3-4H2,1-2H3,(H2,8,9,10)/p-2
InChIKeyXFTAKJLFJVBAHV-UHFFFAOYSA-L
XLogP-0.89
TPSA110.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.98
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 135084279
CID 135084279
1-bromo-1,1-dichloro-2,2-diethoxyethane
CID 169435005
ethoxyethane;tetrachloromethane
CID 87294863
1,1,1-trichloro-4,4-diethoxybutan-2-one
CID 131860335
pentakis(1,1,1-trichlorobutan-2-olate);vanadium
CID 19912798
1,1,1,3,4-pentachloro-4-ethoxybutan-2-one
CID 12033907
2,2-dichloro-3,3-diethoxypropan-1-ol
CID 10998456
2-chloro-1-ethoxy-2-ethylbutan-1-amine
CID 22618234
dichloromethoxyethane
CID 12643245
1,1,1-trichloro-3-(1-ethoxyethoxy)propane
CID 173130931
CID 136814543
CID 136814543
[chloro(cyano)methyl]-diethoxy-hydroxyphosphanium
CID 171501326

Frequently Asked Questions

What is the IUPAC name of [dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium?
The IUPAC name of [dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium (CID 136898874) is [dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium.
What is the SMILES notation for [dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium?
The canonical SMILES for [dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium is CCO[P+]([O-])(OCC)C(Cl)(Cl)[P+]([O-])([O-])[O-].
What is the InChIKey of [dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium?
The InChIKey is XFTAKJLFJVBAHV-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H12Cl2O6P2/c1-3-12-15(11,13-4-2)5(6,7)14(8,9)10/h3-4H2,1-2H3,(H2,8,9,10)/p-2.
What are the key properties of [dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium?
[dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium has a molecular weight of 298.98 g/mol, XLogP of -0.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro-[diethoxy(oxido)phosphaniumyl]methyl]-trioxidophosphanium is sourced from PubChem (CID 136898874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).