5-cyclohexyl-2,4-dioxopentanoic acid

C11H16O4 — CID 510878

IUPAC5-cyclohexyl-2,4-dioxopentanoic acid
SMILESO=C(CC(=O)C(=O)O)CC1CCCCC1
InChIInChI=1S/C11H16O4/c12-9(7-10(13)11(14)15)6-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15)
InChIKeyBDSHCWNBBUJOKG-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.57
Rot. Bonds5

About 5-cyclohexyl-2,4-dioxopentanoic acid

5-cyclohexyl-2,4-dioxopentanoic acid (PubChem CID 510878) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-cyclohexyl-2,4-dioxopentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-2,4-dioxopentanoic acid
PubChem CID510878
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name5-cyclohexyl-2,4-dioxopentanoic acid
SMILESO=C(CC(=O)C(=O)O)CC1CCCCC1
InChIInChI=1S/C11H16O4/c12-9(7-10(13)11(14)15)6-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15)
InChIKeyBDSHCWNBBUJOKG-UHFFFAOYSA-N
XLogP1.57
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2,4-dioxopentanoic acid?
The IUPAC name of 5-cyclohexyl-2,4-dioxopentanoic acid (CID 510878) is 5-cyclohexyl-2,4-dioxopentanoic acid.
What is the SMILES notation for 5-cyclohexyl-2,4-dioxopentanoic acid?
The canonical SMILES for 5-cyclohexyl-2,4-dioxopentanoic acid is O=C(CC(=O)C(=O)O)CC1CCCCC1.
What is the InChIKey of 5-cyclohexyl-2,4-dioxopentanoic acid?
The InChIKey is BDSHCWNBBUJOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c12-9(7-10(13)11(14)15)6-8-4-2-1-3-5-8/h8H,1-7H2,(H,14,15).
What are the key properties of 5-cyclohexyl-2,4-dioxopentanoic acid?
5-cyclohexyl-2,4-dioxopentanoic acid has a molecular weight of 212.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2,4-dioxopentanoic acid is sourced from PubChem (CID 510878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).