diethyl 3-(2-methoxyacetyl)pentanedioate

C12H20O6 — CID 141391818

IUPACdiethyl 3-(2-methoxyacetyl)pentanedioate
SMILESCCOC(=O)CC(CC(=O)OCC)C(=O)COC
InChIInChI=1S/C12H20O6/c1-4-17-11(14)6-9(10(13)8-16-3)7-12(15)18-5-2/h9H,4-8H2,1-3H3
InChIKeyIGUIJYYJEHYRHM-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.72
Rot. Bonds9

About diethyl 3-(2-methoxyacetyl)pentanedioate

diethyl 3-(2-methoxyacetyl)pentanedioate (PubChem CID 141391818) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is diethyl 3-(2-methoxyacetyl)pentanedioate.

Molecular Properties

Compound Namediethyl 3-(2-methoxyacetyl)pentanedioate
PubChem CID141391818
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Namediethyl 3-(2-methoxyacetyl)pentanedioate
SMILESCCOC(=O)CC(CC(=O)OCC)C(=O)COC
InChIInChI=1S/C12H20O6/c1-4-17-11(14)6-9(10(13)8-16-3)7-12(15)18-5-2/h9H,4-8H2,1-3H3
InChIKeyIGUIJYYJEHYRHM-UHFFFAOYSA-N
XLogP0.72
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid
CID 159443952
diethyl 3-butanoylpentanedioate
CID 176850619
CID 172843337
CID 172843337
tetraethyl pentane-1,2,4,5-tetracarboxylate
CID 12576810
diethyl 3-oxaldehydoylpentanedioate
CID 12902392
CID 119097783
CID 119097783
ethyl 3-tert-butyl-4,4-dimethylpentanoate
CID 22372628
ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid
CID 159692110
diethyl (2S)-2-(2-methylpropyl)butanedioate
CID 102063986
ethyl 3-ethyl-4,5-dioxopentanoate
CID 166091385
2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid
CID 14303036
1-O-ethyl 5-O-(methoxymethyl) pentanedioate
CID 174421826

Frequently Asked Questions

What is the IUPAC name of diethyl 3-(2-methoxyacetyl)pentanedioate?
The IUPAC name of diethyl 3-(2-methoxyacetyl)pentanedioate (CID 141391818) is diethyl 3-(2-methoxyacetyl)pentanedioate.
What is the SMILES notation for diethyl 3-(2-methoxyacetyl)pentanedioate?
The canonical SMILES for diethyl 3-(2-methoxyacetyl)pentanedioate is CCOC(=O)CC(CC(=O)OCC)C(=O)COC.
What is the InChIKey of diethyl 3-(2-methoxyacetyl)pentanedioate?
The InChIKey is IGUIJYYJEHYRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c1-4-17-11(14)6-9(10(13)8-16-3)7-12(15)18-5-2/h9H,4-8H2,1-3H3.
What are the key properties of diethyl 3-(2-methoxyacetyl)pentanedioate?
diethyl 3-(2-methoxyacetyl)pentanedioate has a molecular weight of 260.29 g/mol, XLogP of 0.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-(2-methoxyacetyl)pentanedioate is sourced from PubChem (CID 141391818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).