diethyl 2-methoxyethyl phosphate

C7H17O5P — CID 547489

IUPACdiethyl 2-methoxyethyl phosphate
SMILESCCOP(=O)(OCC)OCCOC
InChIInChI=1S/C7H17O5P/c1-4-10-13(8,11-5-2)12-7-6-9-3/h4-7H2,1-3H3
InChIKeyBUBXMFDYDWDNGT-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.83
Rot. Bonds8

About diethyl 2-methoxyethyl phosphate

diethyl 2-methoxyethyl phosphate (PubChem CID 547489) has the molecular formula C7H17O5P and a molecular weight of 212.18 g/mol. Its IUPAC name is diethyl 2-methoxyethyl phosphate.

Molecular Properties

Compound Namediethyl 2-methoxyethyl phosphate
PubChem CID547489
Molecular FormulaC7H17O5P
Molecular Weight212.18 g/mol
Exact Mass212.08
IUPAC Namediethyl 2-methoxyethyl phosphate
SMILESCCOP(=O)(OCC)OCCOC
InChIInChI=1S/C7H17O5P/c1-4-10-13(8,11-5-2)12-7-6-9-3/h4-7H2,1-3H3
InChIKeyBUBXMFDYDWDNGT-UHFFFAOYSA-N
XLogP1.83
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.83
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

2-ethoxyethyl diethyl phosphate
CID 3052884
5-diethoxyphosphoryloxypentyl diethyl phosphate
CID 23412798
acetic acid;triethyl phosphate
CID 161446956
2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate
CID 118098442
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
triethyl phosphate;bis(trimethylsilane)
CID 175760856
sulfur trioxide;triethyl phosphate
CID 86745268
4-O-[2-[2-(4-acetylbenzoyl)oxyethoxy-ethoxyphosphoryl]oxyethyl] 1-O-(2-methoxyethyl) benzene-1,4-dicarboxylate
CID 22948301
CID 177007311
CID 177007311
aluminum;triethyl phosphate;phosphate
CID 174993171
bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphoryl bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] phosphate
CID 101216646
2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
CID 140898366

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methoxyethyl phosphate?
The IUPAC name of diethyl 2-methoxyethyl phosphate (CID 547489) is diethyl 2-methoxyethyl phosphate.
What is the SMILES notation for diethyl 2-methoxyethyl phosphate?
The canonical SMILES for diethyl 2-methoxyethyl phosphate is CCOP(=O)(OCC)OCCOC.
What is the InChIKey of diethyl 2-methoxyethyl phosphate?
The InChIKey is BUBXMFDYDWDNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O5P/c1-4-10-13(8,11-5-2)12-7-6-9-3/h4-7H2,1-3H3.
What are the key properties of diethyl 2-methoxyethyl phosphate?
diethyl 2-methoxyethyl phosphate has a molecular weight of 212.18 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methoxyethyl phosphate is sourced from PubChem (CID 547489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).