2-ethoxyethyl diethyl phosphate

C8H19O5P — CID 3052884

IUPAC2-ethoxyethyl diethyl phosphate
SMILESCCOCCOP(=O)(OCC)OCC
InChIInChI=1S/C8H19O5P/c1-4-10-7-8-13-14(9,11-5-2)12-6-3/h4-8H2,1-3H3
InChIKeyWHYDQOAVSFYOCB-UHFFFAOYSA-N
MW226.21 g/mol
LogP2.22
Rot. Bonds9

About 2-ethoxyethyl diethyl phosphate

2-ethoxyethyl diethyl phosphate (PubChem CID 3052884) has the molecular formula C8H19O5P and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-ethoxyethyl diethyl phosphate.

Molecular Properties

Compound Name2-ethoxyethyl diethyl phosphate
PubChem CID3052884
Molecular FormulaC8H19O5P
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Name2-ethoxyethyl diethyl phosphate
SMILESCCOCCOP(=O)(OCC)OCC
InChIInChI=1S/C8H19O5P/c1-4-10-7-8-13-14(9,11-5-2)12-6-3/h4-8H2,1-3H3
InChIKeyWHYDQOAVSFYOCB-UHFFFAOYSA-N
XLogP2.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-methoxyethyl phosphate
CID 547489
5-diethoxyphosphoryloxypentyl diethyl phosphate
CID 23412798
sodium 2-ethoxyethyl phosphate
CID 139597529
1-dichlorophosphoryloxy-2-ethoxyethane
CID 12585942
tris(2-butoxyethyl) phosphate
CID 6540
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
triethyl phosphate;bis(trimethylsilane)
CID 175760856
sulfur trioxide;triethyl phosphate
CID 86745268
CID 177007311
CID 177007311
aluminum;triethyl phosphate;phosphate
CID 174993171
2-cyanoethyl diethyl phosphate
CID 54310763
azane;didodecyl ethyl phosphate
CID 170436215

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl diethyl phosphate?
The IUPAC name of 2-ethoxyethyl diethyl phosphate (CID 3052884) is 2-ethoxyethyl diethyl phosphate.
What is the SMILES notation for 2-ethoxyethyl diethyl phosphate?
The canonical SMILES for 2-ethoxyethyl diethyl phosphate is CCOCCOP(=O)(OCC)OCC.
What is the InChIKey of 2-ethoxyethyl diethyl phosphate?
The InChIKey is WHYDQOAVSFYOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O5P/c1-4-10-7-8-13-14(9,11-5-2)12-6-3/h4-8H2,1-3H3.
What are the key properties of 2-ethoxyethyl diethyl phosphate?
2-ethoxyethyl diethyl phosphate has a molecular weight of 226.21 g/mol, XLogP of 2.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl diethyl phosphate is sourced from PubChem (CID 3052884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).