2-(2-ethoxyethyl)-4-oxopentanoic acid

C9H16O4 — CID 57157218

IUPAC2-(2-ethoxyethyl)-4-oxopentanoic acid
SMILESCCOCCC(CC(C)=O)C(=O)O
InChIInChI=1S/C9H16O4/c1-3-13-5-4-8(9(11)12)6-7(2)10/h8H,3-6H2,1-2H3,(H,11,12)
InChIKeyWRGMNPUAOPUCNK-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.09
Rot. Bonds7

About 2-(2-ethoxyethyl)-4-oxopentanoic acid

2-(2-ethoxyethyl)-4-oxopentanoic acid (PubChem CID 57157218) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-4-oxopentanoic acid.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-4-oxopentanoic acid
PubChem CID57157218
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(2-ethoxyethyl)-4-oxopentanoic acid
SMILESCCOCCC(CC(C)=O)C(=O)O
InChIInChI=1S/C9H16O4/c1-3-13-5-4-8(9(11)12)6-7(2)10/h8H,3-6H2,1-2H3,(H,11,12)
InChIKeyWRGMNPUAOPUCNK-UHFFFAOYSA-N
XLogP1.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-2-(2-ethoxyethyl)pentanoic acid
CID 121219340
(2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid
CID 58249232
2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
CID 174998177
2-(aminomethyl)-7-ethoxy-5-methylheptanoic acid
CID 142270027
(2R)-2-(3-oxobutyl)butanedioic acid
CID 88997259
2-(2-methoxyethyl)butanedioic acid
CID 13255587
2-[(2-chlorophenyl)methyl]-4-ethoxybutanoic acid
CID 60794360
(2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid
CID 160569275
(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
CID 59074115
2-(methylsulfanylmethyl)-4-oxopentanoic acid
CID 157156436
4-ethoxy-4-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]butanoic acid
CID 86614690
(2R)-2-[6-(2-ethoxyethoxy)-3-oxohexyl]-4-oxohenicosanedioic acid
CID 158277924

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-4-oxopentanoic acid?
The IUPAC name of 2-(2-ethoxyethyl)-4-oxopentanoic acid (CID 57157218) is 2-(2-ethoxyethyl)-4-oxopentanoic acid.
What is the SMILES notation for 2-(2-ethoxyethyl)-4-oxopentanoic acid?
The canonical SMILES for 2-(2-ethoxyethyl)-4-oxopentanoic acid is CCOCCC(CC(C)=O)C(=O)O.
What is the InChIKey of 2-(2-ethoxyethyl)-4-oxopentanoic acid?
The InChIKey is WRGMNPUAOPUCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-3-13-5-4-8(9(11)12)6-7(2)10/h8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-ethoxyethyl)-4-oxopentanoic acid?
2-(2-ethoxyethyl)-4-oxopentanoic acid has a molecular weight of 188.22 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-4-oxopentanoic acid is sourced from PubChem (CID 57157218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).