6-(5-oxocyclopenten-1-yl)hexanoic acid

C11H16O3 — CID 3040253

IUPAC6-(5-oxocyclopenten-1-yl)hexanoic acid
SMILESO=C(O)CCCCCC1=CCCC1=O
InChIInChI=1S/C11H16O3/c12-10-7-4-6-9(10)5-2-1-3-8-11(13)14/h6H,1-5,7-8H2,(H,13,14)
InChIKeyLKHSNVFARIHMHY-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.31
Rot. Bonds6

About 6-(5-oxocyclopenten-1-yl)hexanoic acid

6-(5-oxocyclopenten-1-yl)hexanoic acid (PubChem CID 3040253) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-(5-oxocyclopenten-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(5-oxocyclopenten-1-yl)hexanoic acid
PubChem CID3040253
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name6-(5-oxocyclopenten-1-yl)hexanoic acid
SMILESO=C(O)CCCCCC1=CCCC1=O
InChIInChI=1S/C11H16O3/c12-10-7-4-6-9(10)5-2-1-3-8-11(13)14/h6H,1-5,7-8H2,(H,13,14)
InChIKeyLKHSNVFARIHMHY-UHFFFAOYSA-N
XLogP2.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-oxocyclopenten-1-yl)hexanoic acid?
The IUPAC name of 6-(5-oxocyclopenten-1-yl)hexanoic acid (CID 3040253) is 6-(5-oxocyclopenten-1-yl)hexanoic acid.
What is the SMILES notation for 6-(5-oxocyclopenten-1-yl)hexanoic acid?
The canonical SMILES for 6-(5-oxocyclopenten-1-yl)hexanoic acid is O=C(O)CCCCCC1=CCCC1=O.
What is the InChIKey of 6-(5-oxocyclopenten-1-yl)hexanoic acid?
The InChIKey is LKHSNVFARIHMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-10-7-4-6-9(10)5-2-1-3-8-11(13)14/h6H,1-5,7-8H2,(H,13,14).
What are the key properties of 6-(5-oxocyclopenten-1-yl)hexanoic acid?
6-(5-oxocyclopenten-1-yl)hexanoic acid has a molecular weight of 196.25 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-oxocyclopenten-1-yl)hexanoic acid is sourced from PubChem (CID 3040253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).