phosphanium dimethyl phosphate

C2H10O4P2 — CID 118555188

IUPACphosphanium dimethyl phosphate
SMILESCOP(=O)([O-])OC.[PH4+]
InChIInChI=1S/C2H7O4P.H3P/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);1H3
InChIKeyLEKYFHLNAFECMX-UHFFFAOYSA-N
MW160.05 g/mol
LogP-0.46
Rot. Bonds2

About phosphanium dimethyl phosphate

phosphanium dimethyl phosphate (PubChem CID 118555188) has the molecular formula C2H10O4P2 and a molecular weight of 160.05 g/mol. Its IUPAC name is phosphanium dimethyl phosphate.

Molecular Properties

Compound Namephosphanium dimethyl phosphate
PubChem CID118555188
Molecular FormulaC2H10O4P2
Molecular Weight160.05 g/mol
Exact Mass160.01
IUPAC Namephosphanium dimethyl phosphate
SMILESCOP(=O)([O-])OC.[PH4+]
InChIInChI=1S/C2H7O4P.H3P/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);1H3
InChIKeyLEKYFHLNAFECMX-UHFFFAOYSA-N
XLogP-0.46
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.05
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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dimethylphosphinate;methoxy(methyl)phosphinate
CID 161267325
2-bromoethyl methyl phosphate
CID 20702667
2-aminoethyl methyl phosphate
CID 59620632
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dimethyl phosphate;1-[methoxy(oxido)phosphoryl]oxypropyl methyl phosphate;sulfanylidenephosphane
CID 157095571
cyclohexyl(trimethyl)phosphanium;dimethyl phosphate
CID 87177109

Frequently Asked Questions

What is the IUPAC name of phosphanium dimethyl phosphate?
The IUPAC name of phosphanium dimethyl phosphate (CID 118555188) is phosphanium dimethyl phosphate.
What is the SMILES notation for phosphanium dimethyl phosphate?
The canonical SMILES for phosphanium dimethyl phosphate is COP(=O)([O-])OC.[PH4+].
What is the InChIKey of phosphanium dimethyl phosphate?
The InChIKey is LEKYFHLNAFECMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O4P.H3P/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);1H3.
What are the key properties of phosphanium dimethyl phosphate?
phosphanium dimethyl phosphate has a molecular weight of 160.05 g/mol, XLogP of -0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanium dimethyl phosphate is sourced from PubChem (CID 118555188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).