[dimethylamino(methoxy)phosphoryl] diethyl phosphate

C7H19NO6P2 — CID 12237

IUPAC[dimethylamino(methoxy)phosphoryl] diethyl phosphate
SMILESCCOP(=O)(OCC)OP(=O)(OC)N(C)C
InChIInChI=1S/C7H19NO6P2/c1-6-12-16(10,13-7-2)14-15(9,11-5)8(3)4/h6-7H2,1-5H3
InChIKeyLYAAIYRUCCZFRB-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.50
Rot. Bonds8

About [dimethylamino(methoxy)phosphoryl] diethyl phosphate

[dimethylamino(methoxy)phosphoryl] diethyl phosphate (PubChem CID 12237) has the molecular formula C7H19NO6P2 and a molecular weight of 275.18 g/mol. Its IUPAC name is [dimethylamino(methoxy)phosphoryl] diethyl phosphate.

Molecular Properties

Compound Name[dimethylamino(methoxy)phosphoryl] diethyl phosphate
PubChem CID12237
Molecular FormulaC7H19NO6P2
Molecular Weight275.18 g/mol
Exact Mass275.07
IUPAC Name[dimethylamino(methoxy)phosphoryl] diethyl phosphate
SMILESCCOP(=O)(OCC)OP(=O)(OC)N(C)C
InChIInChI=1S/C7H19NO6P2/c1-6-12-16(10,13-7-2)14-15(9,11-5)8(3)4/h6-7H2,1-5H3
InChIKeyLYAAIYRUCCZFRB-UHFFFAOYSA-N
XLogP2.50
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.50
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

Diethyl dimethylphosphoramidate
CID 520087
Tetraethyl [(dimethylamino)methylene]bisphosphonate
CID 86795
Diethyl di(dimethylamido)pyrophosphate (symmetrical)
CID 119991
P,P-Diamidoimidodiphosphoric acid, N''-ethyl-N,N,N',N'-tetramethyl-, diethyl ester
CID 3042455
Diethyl methyl diethylamidodiphosphate
CID 12236
P,P-Diamidodiphosphoric acid, N,N,N',N'-tetramethyl-, diethyl ester
CID 73862
ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid
CID 541907
N-diethoxyphosphoryl-N-methylethanamine
CID 24740829
Ethyl N,N,N',N'-tetramethyldiamidophosphate
CID 527629
HC 4131
CID 11227
4130 HC
CID 11547
N,N-Dimethyl-p-methyl phosphonamidic acid, n-propyl ester
CID 520178

Frequently Asked Questions

What is the IUPAC name of [dimethylamino(methoxy)phosphoryl] diethyl phosphate?
The IUPAC name of [dimethylamino(methoxy)phosphoryl] diethyl phosphate (CID 12237) is [dimethylamino(methoxy)phosphoryl] diethyl phosphate.
What is the SMILES notation for [dimethylamino(methoxy)phosphoryl] diethyl phosphate?
The canonical SMILES for [dimethylamino(methoxy)phosphoryl] diethyl phosphate is CCOP(=O)(OCC)OP(=O)(OC)N(C)C.
What is the InChIKey of [dimethylamino(methoxy)phosphoryl] diethyl phosphate?
The InChIKey is LYAAIYRUCCZFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NO6P2/c1-6-12-16(10,13-7-2)14-15(9,11-5)8(3)4/h6-7H2,1-5H3.
What are the key properties of [dimethylamino(methoxy)phosphoryl] diethyl phosphate?
[dimethylamino(methoxy)phosphoryl] diethyl phosphate has a molecular weight of 275.18 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(methoxy)phosphoryl] diethyl phosphate is sourced from PubChem (CID 12237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).