1-oxacycloundec-8-ene-2,11-dione

C10H14O3 — CID 175246292

IUPAC1-oxacycloundec-8-ene-2,11-dione
SMILESO=C1CC=CCCCCCC(=O)O1
InChIInChI=1S/C10H14O3/c11-9-7-5-3-1-2-4-6-8-10(12)13-9/h3,5H,1-2,4,6-8H2
InChIKeyAGFCKHJUUZBLJR-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.97
Rot. Bonds

About 1-oxacycloundec-8-ene-2,11-dione

1-oxacycloundec-8-ene-2,11-dione (PubChem CID 175246292) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-oxacycloundec-8-ene-2,11-dione.

Molecular Properties

Compound Name1-oxacycloundec-8-ene-2,11-dione
PubChem CID175246292
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-oxacycloundec-8-ene-2,11-dione
SMILESO=C1CC=CCCCCCC(=O)O1
InChIInChI=1S/C10H14O3/c11-9-7-5-3-1-2-4-6-8-10(12)13-9/h3,5H,1-2,4,6-8H2
InChIKeyAGFCKHJUUZBLJR-UHFFFAOYSA-N
XLogP1.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxacycloundec-8-ene-2,11-dione?
The IUPAC name of 1-oxacycloundec-8-ene-2,11-dione (CID 175246292) is 1-oxacycloundec-8-ene-2,11-dione.
What is the SMILES notation for 1-oxacycloundec-8-ene-2,11-dione?
The canonical SMILES for 1-oxacycloundec-8-ene-2,11-dione is O=C1CC=CCCCCCC(=O)O1.
What is the InChIKey of 1-oxacycloundec-8-ene-2,11-dione?
The InChIKey is AGFCKHJUUZBLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-9-7-5-3-1-2-4-6-8-10(12)13-9/h3,5H,1-2,4,6-8H2.
What are the key properties of 1-oxacycloundec-8-ene-2,11-dione?
1-oxacycloundec-8-ene-2,11-dione has a molecular weight of 182.22 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxacycloundec-8-ene-2,11-dione is sourced from PubChem (CID 175246292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).