4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid

C11H20O6 — CID 58559856

IUPAC4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid
SMILESCCOCCCOCCOC(=O)CCC(=O)O
InChIInChI=1S/C11H20O6/c1-2-15-6-3-7-16-8-9-17-11(14)5-4-10(12)13/h2-9H2,1H3,(H,12,13)
InChIKeyYFNOVRHWMRLNCD-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.84
Rot. Bonds11

About 4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid

4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid (PubChem CID 58559856) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is 4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid
PubChem CID58559856
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid
SMILESCCOCCCOCCOC(=O)CCC(=O)O
InChIInChI=1S/C11H20O6/c1-2-15-6-3-7-16-8-9-17-11(14)5-4-10(12)13/h2-9H2,1H3,(H,12,13)
InChIKeyYFNOVRHWMRLNCD-UHFFFAOYSA-N
XLogP0.84
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-ethoxyethoxy)-6-oxohexanoic acid
CID 22169586
4-[4-[2-(3-carboxypropanoyloxy)ethoxy]butoxy]-4-oxobutanoic acid
CID 89178356
bis(3-ethoxypropyl) butanedioate
CID 101278689
6-[4-(4-ethoxybutoxy)butoxy]-6-oxohexanoic acid
CID 87459786
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecanoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 162774593
4-oxo-4-[4-(4-propoxybutoxy)butoxy]butanoic acid
CID 87460185
4-oxo-4-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]butanoic acid;2-(2-propanoyloxyethoxy)ethyl propanoate
CID 160907308
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
2-ethoxyethyl 4-oxopentanoate
CID 22556205
6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
CID 88544057
4-O-(2-ethoxyethyl) 1-O-octyl butanedioate
CID 91701867
4-O-[3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxy-2,2-bis[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxymethyl]propyl] 1-O-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] butanedioate
CID 88853370

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid (CID 58559856) is 4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid is CCOCCCOCCOC(=O)CCC(=O)O.
What is the InChIKey of 4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid?
The InChIKey is YFNOVRHWMRLNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c1-2-15-6-3-7-16-8-9-17-11(14)5-4-10(12)13/h2-9H2,1H3,(H,12,13).
What are the key properties of 4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid?
4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid has a molecular weight of 248.27 g/mol, XLogP of 0.84, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid is sourced from PubChem (CID 58559856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).