2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate

C6H15O6P — CID 58743767

IUPAC2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate
SMILESCOCCOCCOP(=O)(O)OC
InChIInChI=1S/C6H15O6P/c1-9-3-4-11-5-6-12-13(7,8)10-2/h3-6H2,1-2H3,(H,7,8)
InChIKeyJVSUHLJQOVNHKD-UHFFFAOYSA-N
MW214.15 g/mol
LogP0.41
Rot. Bonds8

About 2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate

2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate (PubChem CID 58743767) has the molecular formula C6H15O6P and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate
PubChem CID58743767
Molecular FormulaC6H15O6P
Molecular Weight214.15 g/mol
Exact Mass214.06
IUPAC Name2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate
SMILESCOCCOCCOP(=O)(O)OC
InChIInChI=1S/C6H15O6P/c1-9-3-4-11-5-6-12-13(7,8)10-2/h3-6H2,1-2H3,(H,7,8)
InChIKeyJVSUHLJQOVNHKD-UHFFFAOYSA-N
XLogP0.41
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 50.41
H-Bond Donors ≤ 51
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

methyl 2-propoxyethyl hydrogen phosphate
CID 87066021
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate
CID 129040767
2-heptadecoxyethyl methyl hydrogen phosphate
CID 175908043
2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate
CID 87720487
2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
CID 140898366
hydroxy-methanidylidene-methoxy-[2-(2-methoxyethoxy)ethoxy]-λ5-phosphane
CID 20653466
2-aminoethyl 2-methoxyethyl hydrogen phosphate
CID 59087649
tert-butyl 2-[hydroxy-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]phosphoryl]oxyethyl hydrogen phosphate
CID 157111782
(4-amino-4-oxobutyl) methyl hydrogen phosphate
CID 89393269
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
methoxy-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]phosphinic acid
CID 161196889
[hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate
CID 151699028

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate (CID 58743767) is 2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate is COCCOCCOP(=O)(O)OC.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate?
The InChIKey is JVSUHLJQOVNHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O6P/c1-9-3-4-11-5-6-12-13(7,8)10-2/h3-6H2,1-2H3,(H,7,8).
What are the key properties of 2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate?
2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate has a molecular weight of 214.15 g/mol, XLogP of 0.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate is sourced from PubChem (CID 58743767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).