5,7-dimethyl-4H-oxecine-3,9-dione

C11H14O3 — CID 90834024

IUPAC5,7-dimethyl-4H-oxecine-3,9-dione
SMILESCC1=CC(=O)COCC(=O)CC(C)=C1
InChIInChI=1S/C11H14O3/c1-8-3-9(2)5-11(13)7-14-6-10(12)4-8/h3-4H,5-7H2,1-2H3
InChIKeyUUOGEWDUGXZWCL-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.44
Rot. Bonds

About 5,7-dimethyl-4H-oxecine-3,9-dione

5,7-dimethyl-4H-oxecine-3,9-dione (PubChem CID 90834024) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5,7-dimethyl-4H-oxecine-3,9-dione.

Molecular Properties

Compound Name5,7-dimethyl-4H-oxecine-3,9-dione
PubChem CID90834024
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name5,7-dimethyl-4H-oxecine-3,9-dione
SMILESCC1=CC(=O)COCC(=O)CC(C)=C1
InChIInChI=1S/C11H14O3/c1-8-3-9(2)5-11(13)7-14-6-10(12)4-8/h3-4H,5-7H2,1-2H3
InChIKeyUUOGEWDUGXZWCL-UHFFFAOYSA-N
XLogP1.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4H-oxecine-3,9-dione?
The IUPAC name of 5,7-dimethyl-4H-oxecine-3,9-dione (CID 90834024) is 5,7-dimethyl-4H-oxecine-3,9-dione.
What is the SMILES notation for 5,7-dimethyl-4H-oxecine-3,9-dione?
The canonical SMILES for 5,7-dimethyl-4H-oxecine-3,9-dione is CC1=CC(=O)COCC(=O)CC(C)=C1.
What is the InChIKey of 5,7-dimethyl-4H-oxecine-3,9-dione?
The InChIKey is UUOGEWDUGXZWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-3-9(2)5-11(13)7-14-6-10(12)4-8/h3-4H,5-7H2,1-2H3.
What are the key properties of 5,7-dimethyl-4H-oxecine-3,9-dione?
5,7-dimethyl-4H-oxecine-3,9-dione has a molecular weight of 194.23 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4H-oxecine-3,9-dione is sourced from PubChem (CID 90834024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).