[diethylamino(methoxy)phosphoryl] diethyl phosphate

C9H23NO6P2 — CID 12236

IUPAC[diethylamino(methoxy)phosphoryl] diethyl phosphate
SMILESCCOP(=O)(OCC)OP(=O)(OC)N(CC)CC
InChIInChI=1S/C9H23NO6P2/c1-6-10(7-2)17(11,13-5)16-18(12,14-8-3)15-9-4/h6-9H2,1-5H3
InChIKeyBPVMXDTYQFIEOB-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.28
Rot. Bonds10

About [diethylamino(methoxy)phosphoryl] diethyl phosphate

[diethylamino(methoxy)phosphoryl] diethyl phosphate (PubChem CID 12236) has the molecular formula C9H23NO6P2 and a molecular weight of 303.23 g/mol. Its IUPAC name is [diethylamino(methoxy)phosphoryl] diethyl phosphate.

Molecular Properties

Compound Name[diethylamino(methoxy)phosphoryl] diethyl phosphate
PubChem CID12236
Molecular FormulaC9H23NO6P2
Molecular Weight303.23 g/mol
Exact Mass303.10
IUPAC Name[diethylamino(methoxy)phosphoryl] diethyl phosphate
SMILESCCOP(=O)(OCC)OP(=O)(OC)N(CC)CC
InChIInChI=1S/C9H23NO6P2/c1-6-10(7-2)17(11,13-5)16-18(12,14-8-3)15-9-4/h6-9H2,1-5H3
InChIKeyBPVMXDTYQFIEOB-UHFFFAOYSA-N
XLogP3.28
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.28
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 dibutylphosphoramidate
CID 105706
Ethyl hydrogen diethylamidophosphate
CID 15083623
Diethyl ((diethylamino)methyl)phosphonate
CID 70444
Diethyl di(dimethylamido)pyrophosphate (symmetrical)
CID 119991
P,P-Diamidoimidodiphosphoric acid, N''-ethyl-N,N,N',N'-tetramethyl-, diethyl ester
CID 3042455
Phosphoramidic acid, diethyl-, ethyl methyl ester
CID 15083625
P,P-Diamidodiphosphoric acid, N,N,N',N'-tetramethyl-, diethyl ester
CID 73862
Imidodiphosphoric acid, ethyl-, tetraethyl ester
CID 77216
Phosphoramidic acid, N,N-diethyl-, diethyl ester
CID 137846
N-diethoxyphosphoryl-N-methylethanamine
CID 24740829
Ethyl dihydrogen phosphate--N,N-diethylethanamine (1/1)
CID 110054
HC 4131
CID 11227

Frequently Asked Questions

What is the IUPAC name of [diethylamino(methoxy)phosphoryl] diethyl phosphate?
The IUPAC name of [diethylamino(methoxy)phosphoryl] diethyl phosphate (CID 12236) is [diethylamino(methoxy)phosphoryl] diethyl phosphate.
What is the SMILES notation for [diethylamino(methoxy)phosphoryl] diethyl phosphate?
The canonical SMILES for [diethylamino(methoxy)phosphoryl] diethyl phosphate is CCOP(=O)(OCC)OP(=O)(OC)N(CC)CC.
What is the InChIKey of [diethylamino(methoxy)phosphoryl] diethyl phosphate?
The InChIKey is BPVMXDTYQFIEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO6P2/c1-6-10(7-2)17(11,13-5)16-18(12,14-8-3)15-9-4/h6-9H2,1-5H3.
What are the key properties of [diethylamino(methoxy)phosphoryl] diethyl phosphate?
[diethylamino(methoxy)phosphoryl] diethyl phosphate has a molecular weight of 303.23 g/mol, XLogP of 3.28, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diethylamino(methoxy)phosphoryl] diethyl phosphate is sourced from PubChem (CID 12236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).