diethyl [methoxy(methyl)phosphoryl] phosphate

C6H16O6P2 — CID 162624062

IUPACdiethyl [methoxy(methyl)phosphoryl] phosphate
SMILESCCOP(=O)(OCC)OP(C)(=O)OC
InChIInChI=1S/C6H16O6P2/c1-5-10-14(8,11-6-2)12-13(4,7)9-3/h5-6H2,1-4H3
InChIKeyNSOATPXKXRUPPA-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.65
Rot. Bonds7

About diethyl [methoxy(methyl)phosphoryl] phosphate

diethyl [methoxy(methyl)phosphoryl] phosphate (PubChem CID 162624062) has the molecular formula C6H16O6P2 and a molecular weight of 246.14 g/mol. Its IUPAC name is diethyl [methoxy(methyl)phosphoryl] phosphate.

Molecular Properties

Compound Namediethyl [methoxy(methyl)phosphoryl] phosphate
PubChem CID162624062
Molecular FormulaC6H16O6P2
Molecular Weight246.14 g/mol
Exact Mass246.04
IUPAC Namediethyl [methoxy(methyl)phosphoryl] phosphate
SMILESCCOP(=O)(OCC)OP(C)(=O)OC
InChIInChI=1S/C6H16O6P2/c1-5-10-14(8,11-6-2)12-13(4,7)9-3/h5-6H2,1-4H3
InChIKeyNSOATPXKXRUPPA-UHFFFAOYSA-N
XLogP2.65
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane
CID 18714474
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
triethyl phosphate;bis(trimethylsilane)
CID 175760856
sulfur trioxide;triethyl phosphate
CID 86745268
diethyl 2-methoxyethyl phosphate
CID 547489
diethyl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] phosphate
CID 139957080
aluminum;triethyl phosphate;phosphate
CID 174993171
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
CID 57459832
CID 57459832
diethoxyphosphoryl ethyl [hydroxy(phosphonooxy)phosphoryl] phosphate
CID 139957054
ethyl methyl 2,2,2-trifluoroethyl phosphate
CID 87424600

Frequently Asked Questions

What is the IUPAC name of diethyl [methoxy(methyl)phosphoryl] phosphate?
The IUPAC name of diethyl [methoxy(methyl)phosphoryl] phosphate (CID 162624062) is diethyl [methoxy(methyl)phosphoryl] phosphate.
What is the SMILES notation for diethyl [methoxy(methyl)phosphoryl] phosphate?
The canonical SMILES for diethyl [methoxy(methyl)phosphoryl] phosphate is CCOP(=O)(OCC)OP(C)(=O)OC.
What is the InChIKey of diethyl [methoxy(methyl)phosphoryl] phosphate?
The InChIKey is NSOATPXKXRUPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O6P2/c1-5-10-14(8,11-6-2)12-13(4,7)9-3/h5-6H2,1-4H3.
What are the key properties of diethyl [methoxy(methyl)phosphoryl] phosphate?
diethyl [methoxy(methyl)phosphoryl] phosphate has a molecular weight of 246.14 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [methoxy(methyl)phosphoryl] phosphate is sourced from PubChem (CID 162624062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).