methyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate

C8H14O6 — CID 24975187

IUPACmethyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate
SMILESCOC(=O)COC(C)OCC(=O)OC
InChIInChI=1S/C8H14O6/c1-6(13-4-7(9)11-2)14-5-8(10)12-3/h6H,4-5H2,1-3H3
InChIKeyYJIOZRDJGAMPIQ-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.29
Rot. Bonds6

About methyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate

methyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate (PubChem CID 24975187) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is methyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate
PubChem CID24975187
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Namemethyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate
SMILESCOC(=O)COC(C)OCC(=O)OC
InChIInChI=1S/C8H14O6/c1-6(13-4-7(9)11-2)14-5-8(10)12-3/h6H,4-5H2,1-3H3
InChIKeyYJIOZRDJGAMPIQ-UHFFFAOYSA-N
XLogP-0.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Acetic acid, 2,2-dimethoxy-, methyl ester
CID 66647
Ethyl diethoxyacetate
CID 80169
2,2-Diethoxyacetic acid
CID 3017504
Ethyl 2,2,2-triethoxyacetate
CID 5090273
1,4-Dioxane-2,5-diyl diacetate
CID 243612
Ethylylidene triacetate
CID 76325
Acetic acid, dibutoxy-, butyl ester
CID 545227
1,4-Dioxane-2,3-diol, diacetate
CID 537894
Ethyl 2-(1-ethoxyethoxy)propanoate
CID 552079
Sodium diethoxyacetate
CID 23663712
2-Methyl-1,3-dioxolan-4-one
CID 10080341
(2,2-Diethoxyacetyl) 2,2,2-trifluoroacetate
CID 135086815

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate?
The IUPAC name of methyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate (CID 24975187) is methyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate.
What is the SMILES notation for methyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate?
The canonical SMILES for methyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate is COC(=O)COC(C)OCC(=O)OC.
What is the InChIKey of methyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate?
The InChIKey is YJIOZRDJGAMPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6/c1-6(13-4-7(9)11-2)14-5-8(10)12-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate?
methyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate has a molecular weight of 206.19 g/mol, XLogP of -0.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methoxy-2-oxoethoxy)ethoxy]acetate is sourced from PubChem (CID 24975187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).