[2-(dimethylamino)-2-oxoethyl] diethyl phosphate

C8H18NO5P — CID 141322908

IUPAC[2-(dimethylamino)-2-oxoethyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OCC(=O)N(C)C
InChIInChI=1S/C8H18NO5P/c1-5-12-15(11,13-6-2)14-7-8(10)9(3)4/h5-7H2,1-4H3
InChIKeyBGTYLYZLAAODIN-UHFFFAOYSA-N
MW239.21 g/mol
LogP1.27
Rot. Bonds7

About [2-(dimethylamino)-2-oxoethyl] diethyl phosphate

[2-(dimethylamino)-2-oxoethyl] diethyl phosphate (PubChem CID 141322908) has the molecular formula C8H18NO5P and a molecular weight of 239.21 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] diethyl phosphate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] diethyl phosphate
PubChem CID141322908
Molecular FormulaC8H18NO5P
Molecular Weight239.21 g/mol
Exact Mass239.09
IUPAC Name[2-(dimethylamino)-2-oxoethyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OCC(=O)N(C)C
InChIInChI=1S/C8H18NO5P/c1-5-12-15(11,13-6-2)14-7-8(10)9(3)4/h5-7H2,1-4H3
InChIKeyBGTYLYZLAAODIN-UHFFFAOYSA-N
XLogP1.27
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] diethyl phosphate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] diethyl phosphate (CID 141322908) is [2-(dimethylamino)-2-oxoethyl] diethyl phosphate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] diethyl phosphate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] diethyl phosphate is CCOP(=O)(OCC)OCC(=O)N(C)C.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] diethyl phosphate?
The InChIKey is BGTYLYZLAAODIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO5P/c1-5-12-15(11,13-6-2)14-7-8(10)9(3)4/h5-7H2,1-4H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] diethyl phosphate?
[2-(dimethylamino)-2-oxoethyl] diethyl phosphate has a molecular weight of 239.21 g/mol, XLogP of 1.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] diethyl phosphate is sourced from PubChem (CID 141322908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).