1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione

C11H10O3 — CID 90712426

IUPAC1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione
SMILESO=C1C=CC=CC=CC=CCOC1=O
InChIInChI=1S/C11H10O3/c12-10-8-6-4-2-1-3-5-7-9-14-11(10)13/h1-8H,9H2
InChIKeyHAYIQTJYYDZBDQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.34
Rot. Bonds

About 1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione

1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione (PubChem CID 90712426) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione.

Molecular Properties

Compound Name1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione
PubChem CID90712426
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione
SMILESO=C1C=CC=CC=CC=CCOC1=O
InChIInChI=1S/C11H10O3/c12-10-8-6-4-2-1-3-5-7-9-14-11(10)13/h1-8H,9H2
InChIKeyHAYIQTJYYDZBDQ-UHFFFAOYSA-N
XLogP1.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione?
The IUPAC name of 1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione (CID 90712426) is 1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione.
What is the SMILES notation for 1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione?
The canonical SMILES for 1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione is O=C1C=CC=CC=CC=CCOC1=O.
What is the InChIKey of 1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione?
The InChIKey is HAYIQTJYYDZBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-10-8-6-4-2-1-3-5-7-9-14-11(10)13/h1-8H,9H2.
What are the key properties of 1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione?
1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione has a molecular weight of 190.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxacyclododeca-4,6,8,10-tetraene-2,3-dione is sourced from PubChem (CID 90712426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).