2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate

C9H16O6 — CID 159353149

IUPAC2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
SMILESCOCCOC(=O)C(C)OC(=O)COC
InChIInChI=1S/C9H16O6/c1-7(15-8(10)6-13-3)9(11)14-5-4-12-2/h7H,4-6H2,1-3H3
InChIKeyLHOVFXFGXDXARL-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.25
Rot. Bonds7

About 2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate

2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate (PubChem CID 159353149) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate.

Molecular Properties

Compound Name2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
PubChem CID159353149
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
SMILESCOCCOC(=O)C(C)OC(=O)COC
InChIInChI=1S/C9H16O6/c1-7(15-8(10)6-13-3)9(11)14-5-4-12-2/h7H,4-6H2,1-3H3
InChIKeyLHOVFXFGXDXARL-UHFFFAOYSA-N
XLogP-0.25
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate
CID 126705697
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 87160018
2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate
CID 88550156
bis[1-(2-hydroxyethoxy)-1-oxopropan-2-yl] butanedioate
CID 162489298
2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate
CID 20768535
methane;3-methylbutan-2-yl 2-methoxyacetate
CID 162010174
bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 161242191
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate
CID 176891960
[1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate
CID 176759680
4-[2-[1-(3-hydroxypropoxy)-1-oxopropan-2-yl]oxy-2-oxoethoxy]-4-oxobutanoic acid
CID 58041440
2-(2-methoxyethoxy)ethyl 2-methylsulfonyloxypropanoate
CID 57132105

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate?
The IUPAC name of 2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate (CID 159353149) is 2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate.
What is the SMILES notation for 2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate?
The canonical SMILES for 2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate is COCCOC(=O)C(C)OC(=O)COC.
What is the InChIKey of 2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate?
The InChIKey is LHOVFXFGXDXARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1-7(15-8(10)6-13-3)9(11)14-5-4-12-2/h7H,4-6H2,1-3H3.
What are the key properties of 2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate?
2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate has a molecular weight of 220.22 g/mol, XLogP of -0.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate is sourced from PubChem (CID 159353149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).