2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate

C9H21O7P — CID 140898366

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
SMILESCOCCOCCOCCOP(=O)(OC)OC
InChIInChI=1S/C9H21O7P/c1-11-4-5-14-6-7-15-8-9-16-17(10,12-2)13-3/h4-9H2,1-3H3
InChIKeyMIFKJGCLOMZLON-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.08
Rot. Bonds12

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate

2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate (PubChem CID 140898366) has the molecular formula C9H21O7P and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
PubChem CID140898366
Molecular FormulaC9H21O7P
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
SMILESCOCCOCCOCCOP(=O)(OC)OC
InChIInChI=1S/C9H21O7P/c1-11-4-5-14-6-7-15-8-9-16-17(10,12-2)13-3/h4-9H2,1-3H3
InChIKeyMIFKJGCLOMZLON-UHFFFAOYSA-N
XLogP1.08
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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-aminoethoxy)ethoxy]ethyl dimethyl phosphate
CID 147848914
2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate
CID 121405453
2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate
CID 58743767
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 174291074
1,3-diacetamidopropan-2-yl 2-(2-dimethoxyphosphoryloxyethoxy)ethyl methyl phosphate
CID 23399697
tris[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-λ5-phosphane
CID 19046899
diethyl 2-methoxyethyl phosphate
CID 547489
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate (CID 140898366) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate is COCCOCCOCCOP(=O)(OC)OC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate?
The InChIKey is MIFKJGCLOMZLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O7P/c1-11-4-5-14-6-7-15-8-9-16-17(10,12-2)13-3/h4-9H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate has a molecular weight of 272.23 g/mol, XLogP of 1.08, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate is sourced from PubChem (CID 140898366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).