1-oxacycloundec-5-ene-2,10-dione

C10H14O3 — CID 71326847

IUPAC1-oxacycloundec-5-ene-2,10-dione
SMILESO=C1CCCC=CCCC(=O)OC1
InChIInChI=1S/C10H14O3/c11-9-6-4-2-1-3-5-7-10(12)13-8-9/h1,3H,2,4-8H2
InChIKeyMAIGIJZGSWHLFA-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.62
Rot. Bonds

About 1-oxacycloundec-5-ene-2,10-dione

1-oxacycloundec-5-ene-2,10-dione (PubChem CID 71326847) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-oxacycloundec-5-ene-2,10-dione.

Molecular Properties

Compound Name1-oxacycloundec-5-ene-2,10-dione
PubChem CID71326847
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-oxacycloundec-5-ene-2,10-dione
SMILESO=C1CCCC=CCCC(=O)OC1
InChIInChI=1S/C10H14O3/c11-9-6-4-2-1-3-5-7-10(12)13-8-9/h1,3H,2,4-8H2
InChIKeyMAIGIJZGSWHLFA-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxacycloundec-5-ene-2,10-dione?
The IUPAC name of 1-oxacycloundec-5-ene-2,10-dione (CID 71326847) is 1-oxacycloundec-5-ene-2,10-dione.
What is the SMILES notation for 1-oxacycloundec-5-ene-2,10-dione?
The canonical SMILES for 1-oxacycloundec-5-ene-2,10-dione is O=C1CCCC=CCCC(=O)OC1.
What is the InChIKey of 1-oxacycloundec-5-ene-2,10-dione?
The InChIKey is MAIGIJZGSWHLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-9-6-4-2-1-3-5-7-10(12)13-8-9/h1,3H,2,4-8H2.
What are the key properties of 1-oxacycloundec-5-ene-2,10-dione?
1-oxacycloundec-5-ene-2,10-dione has a molecular weight of 182.22 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxacycloundec-5-ene-2,10-dione is sourced from PubChem (CID 71326847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).