2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one

C11H6O3 — CID 91119984

IUPAC2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one
SMILESO=c1cc2ccoc3ccoc(c1)c23
InChIInChI=1S/C11H6O3/c12-8-5-7-1-3-13-9-2-4-14-10(6-8)11(7)9/h1-6H
InChIKeyGTZBKDTYJPBJFJ-UHFFFAOYSA-N
MW186.17 g/mol
LogP2.54
Rot. Bonds

About 2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one

2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one (PubChem CID 91119984) has the molecular formula C11H6O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one.

Molecular Properties

Compound Name2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one
PubChem CID91119984
Molecular FormulaC11H6O3
Molecular Weight186.17 g/mol
Exact Mass186.03
IUPAC Name2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one
SMILESO=c1cc2ccoc3ccoc(c1)c23
InChIInChI=1S/C11H6O3/c12-8-5-7-1-3-13-9-2-4-14-10(6-8)11(7)9/h1-6H
InChIKeyGTZBKDTYJPBJFJ-UHFFFAOYSA-N
XLogP2.54
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one with MolForge

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Related Compounds

Anhydrobarakol
CID 14429408
(1)Benzopyrano(5,4,3-cde)(1)benzopyran
CID 6451338
Benzopyran-5-one
CID 18782100
7H-1-Benzopyran-7-one
CID 21530759
Chromen-6(7 h)-one
CID 67662306
Chromene-5,8-dione
CID 70426916
Dibenzopyrone
CID 87329071
Benzo[1,2-b:5,4-b']dipyran-6-one
CID 129684675
Pyranoxanthone
CID 129695822
Chromen-6-one
CID 129716310
Chromen-5(2h)-one
CID 138986898
4h-Chromen-5(6h)-one
CID 157602217

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one?
The IUPAC name of 2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one (CID 91119984) is 2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one.
What is the SMILES notation for 2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one?
The canonical SMILES for 2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one is O=c1cc2ccoc3ccoc(c1)c23.
What is the InChIKey of 2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one?
The InChIKey is GTZBKDTYJPBJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O3/c12-8-5-7-1-3-13-9-2-4-14-10(6-8)11(7)9/h1-6H.
What are the key properties of 2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one?
2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one has a molecular weight of 186.17 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one is sourced from PubChem (CID 91119984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).