5-ethoxy-5-oxopentaneperoxoic acid

C7H12O5 — CID 15430781

IUPAC5-ethoxy-5-oxopentaneperoxoic acid
SMILESCCOC(=O)CCCC(=O)OO
InChIInChI=1S/C7H12O5/c1-2-11-6(8)4-3-5-7(9)12-10/h10H,2-5H2,1H3
InChIKeyARGAEJMXTCQWSF-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.74
Rot. Bonds5

About 5-ethoxy-5-oxopentaneperoxoic acid

5-ethoxy-5-oxopentaneperoxoic acid (PubChem CID 15430781) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-ethoxy-5-oxopentaneperoxoic acid.

Molecular Properties

Compound Name5-ethoxy-5-oxopentaneperoxoic acid
PubChem CID15430781
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name5-ethoxy-5-oxopentaneperoxoic acid
SMILESCCOC(=O)CCCC(=O)OO
InChIInChI=1S/C7H12O5/c1-2-11-6(8)4-3-5-7(9)12-10/h10H,2-5H2,1H3
InChIKeyARGAEJMXTCQWSF-UHFFFAOYSA-N
XLogP0.74
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

diethyl hexanedioate
CID 160747628
diethyl icosanedioate
CID 5058538
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
1-O-ethyl 5-O-(methoxymethyl) pentanedioate
CID 174421826
5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid
CID 150155538
sodium;diethyl decanedioate;hydride
CID 173076435
dipotassium bis(5-ethoxy-5-oxopentanoate)
CID 141062236
ethyl 5-ethoxy-5-sulfanylidenepentanoate
CID 54196447
ethyl hexanoate;mercury
CID 174624991
ethyl hexanoate;tungsten
CID 175314088
ethyl 4-aminobutanoate;hydrochloride
CID 12649661
ethyl tetradecanoate
CID 89052756

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5-oxopentaneperoxoic acid?
The IUPAC name of 5-ethoxy-5-oxopentaneperoxoic acid (CID 15430781) is 5-ethoxy-5-oxopentaneperoxoic acid.
What is the SMILES notation for 5-ethoxy-5-oxopentaneperoxoic acid?
The canonical SMILES for 5-ethoxy-5-oxopentaneperoxoic acid is CCOC(=O)CCCC(=O)OO.
What is the InChIKey of 5-ethoxy-5-oxopentaneperoxoic acid?
The InChIKey is ARGAEJMXTCQWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c1-2-11-6(8)4-3-5-7(9)12-10/h10H,2-5H2,1H3.
What are the key properties of 5-ethoxy-5-oxopentaneperoxoic acid?
5-ethoxy-5-oxopentaneperoxoic acid has a molecular weight of 176.17 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-5-oxopentaneperoxoic acid is sourced from PubChem (CID 15430781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).