2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid

C10H16O6 — CID 159443952

IUPAC2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid
SMILESCCOC(=O)CC(CC(=O)COC)C(=O)O
InChIInChI=1S/C10H16O6/c1-3-16-9(12)5-7(10(13)14)4-8(11)6-15-2/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyLSNGEQVAZNIRQW-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.25
Rot. Bonds8

About 2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid

2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid (PubChem CID 159443952) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid
PubChem CID159443952
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid
SMILESCCOC(=O)CC(CC(=O)COC)C(=O)O
InChIInChI=1S/C10H16O6/c1-3-16-9(12)5-7(10(13)14)4-8(11)6-15-2/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyLSNGEQVAZNIRQW-UHFFFAOYSA-N
XLogP0.25
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 3-(2-methoxyacetyl)pentanedioate
CID 141391818
2-(2-ethoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 87734415
2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid
CID 14303036
CID 172843337
CID 172843337
tetraethyl pentane-1,2,4,5-tetracarboxylate
CID 12576810
ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid
CID 159692110
1-methoxy-4-methylpentan-2-one
CID 13108539
propane-1,2,3-tricarboxylic acid;triethyl 2-hydroxypropane-1,2,3-tricarboxylate
CID 129217962
1-methoxy-4-methylhexan-2-one
CID 62619896
diethyl 3-butanoylpentanedioate
CID 176850619
5-amino-1-methoxy-4-methylpentan-2-one
CID 116596528
diethyl 3-oxaldehydoylpentanedioate
CID 12902392

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid (CID 159443952) is 2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid is CCOC(=O)CC(CC(=O)COC)C(=O)O.
What is the InChIKey of 2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid?
The InChIKey is LSNGEQVAZNIRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-3-16-9(12)5-7(10(13)14)4-8(11)6-15-2/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid?
2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid has a molecular weight of 232.23 g/mol, XLogP of 0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid is sourced from PubChem (CID 159443952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).