2-ethoxyethyl 4-oxopentanoate

C9H16O4 — CID 22556205

IUPAC2-ethoxyethyl 4-oxopentanoate
SMILESCCOCCOC(=O)CCC(C)=O
InChIInChI=1S/C9H16O4/c1-3-12-6-7-13-9(11)5-4-8(2)10/h3-7H2,1-2H3
InChIKeyDWPAFOSXGDTHIY-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.94
Rot. Bonds7

About 2-ethoxyethyl 4-oxopentanoate

2-ethoxyethyl 4-oxopentanoate (PubChem CID 22556205) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-ethoxyethyl 4-oxopentanoate.

Molecular Properties

Compound Name2-ethoxyethyl 4-oxopentanoate
PubChem CID22556205
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-ethoxyethyl 4-oxopentanoate
SMILESCCOCCOC(=O)CCC(C)=O
InChIInChI=1S/C9H16O4/c1-3-12-6-7-13-9(11)5-4-8(2)10/h3-7H2,1-2H3
InChIKeyDWPAFOSXGDTHIY-UHFFFAOYSA-N
XLogP0.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
2-ethoxyethyl 4-oxopentanoate;1-ethoxypropane;trimethyl(trimethylsilyloxy)silane
CID 158575016
4-oxo-4-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]butanoic acid;2-(2-propanoyloxyethoxy)ethyl propanoate
CID 160907308
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
bis(3-ethoxypropyl) butanedioate
CID 101278689
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid
CID 58559856
2-acetyloxyethyl 4-ethoxybutanoate
CID 23405564
6-(2-ethoxyethoxy)-6-oxohexanoic acid
CID 22169586
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
acetic acid;ethyl 4-oxopentanoate
CID 173361245

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 4-oxopentanoate?
The IUPAC name of 2-ethoxyethyl 4-oxopentanoate (CID 22556205) is 2-ethoxyethyl 4-oxopentanoate.
What is the SMILES notation for 2-ethoxyethyl 4-oxopentanoate?
The canonical SMILES for 2-ethoxyethyl 4-oxopentanoate is CCOCCOC(=O)CCC(C)=O.
What is the InChIKey of 2-ethoxyethyl 4-oxopentanoate?
The InChIKey is DWPAFOSXGDTHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-3-12-6-7-13-9(11)5-4-8(2)10/h3-7H2,1-2H3.
What are the key properties of 2-ethoxyethyl 4-oxopentanoate?
2-ethoxyethyl 4-oxopentanoate has a molecular weight of 188.22 g/mol, XLogP of 0.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 4-oxopentanoate is sourced from PubChem (CID 22556205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).