7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione

C12H12O4 — CID 134921795

IUPAC7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione
SMILESO=C1CCCc2c(c3c(oc2=O)CCC3)O1
InChIInChI=1S/C12H12O4/c13-10-6-2-4-8-11(16-10)7-3-1-5-9(7)15-12(8)14/h1-6H2
InChIKeyDESNERTWJQDLQR-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.37
Rot. Bonds

About 7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione

7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione (PubChem CID 134921795) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione.

Molecular Properties

Compound Name7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione
PubChem CID134921795
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione
SMILESO=C1CCCc2c(c3c(oc2=O)CCC3)O1
InChIInChI=1S/C12H12O4/c13-10-6-2-4-8-11(16-10)7-3-1-5-9(7)15-12(8)14/h1-6H2
InChIKeyDESNERTWJQDLQR-UHFFFAOYSA-N
XLogP1.37
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione?
The IUPAC name of 7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione (CID 134921795) is 7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione.
What is the SMILES notation for 7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione?
The canonical SMILES for 7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione is O=C1CCCc2c(c3c(oc2=O)CCC3)O1.
What is the InChIKey of 7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione?
The InChIKey is DESNERTWJQDLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c13-10-6-2-4-8-11(16-10)7-3-1-5-9(7)15-12(8)14/h1-6H2.
What are the key properties of 7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione?
7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione has a molecular weight of 220.22 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-dioxatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-diene-8,13-dione is sourced from PubChem (CID 134921795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).