5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid

C11H14O5 — CID 91603937

IUPAC5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)C1C(=O)CCCC1=O
InChIInChI=1S/C11H14O5/c12-7-3-1-4-8(13)11(7)9(14)5-2-6-10(15)16/h11H,1-6H2,(H,15,16)
InChIKeyPLWSBQXXMYNUHU-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.75
Rot. Bonds5

About 5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid

5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid (PubChem CID 91603937) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid
PubChem CID91603937
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)C1C(=O)CCCC1=O
InChIInChI=1S/C11H14O5/c12-7-3-1-4-8(13)11(7)9(14)5-2-6-10(15)16/h11H,1-6H2,(H,15,16)
InChIKeyPLWSBQXXMYNUHU-UHFFFAOYSA-N
XLogP0.75
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

pentanedioic acid;piperidine-2,6-dione
CID 175379041
4-(2-oxocyclohexyl)butanoic acid
CID 10559385
cyclobutanone;undecanoic acid
CID 53445946
1,6-bis(2-oxocyclohexyl)hexane-1,6-dione
CID 154092902
1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione
CID 92840383
5-(1,3-dithian-2-yl)-5-oxopentanoic acid
CID 131861137
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
erbium;pentanedioic acid
CID 87931794
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
azane;bis(pentanedioic acid)
CID 138524332

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid?
The IUPAC name of 5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid (CID 91603937) is 5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid is O=C(O)CCCC(=O)C1C(=O)CCCC1=O.
What is the InChIKey of 5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid?
The InChIKey is PLWSBQXXMYNUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c12-7-3-1-4-8(13)11(7)9(14)5-2-6-10(15)16/h11H,1-6H2,(H,15,16).
What are the key properties of 5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid?
5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dioxocyclohexyl)-5-oxopentanoic acid is sourced from PubChem (CID 91603937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).