9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one

C11H10O3 — CID 175866594

IUPAC9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one
SMILESO=C1OC2CCC(O1)c1ccccc12
InChIInChI=1S/C11H10O3/c12-11-13-9-5-6-10(14-11)8-4-2-1-3-7(8)9/h1-4,9-10H,5-6H2
InChIKeyYDABCASXOHDHNF-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.73
Rot. Bonds

About 9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one

9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one (PubChem CID 175866594) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one.

Molecular Properties

Compound Name9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one
PubChem CID175866594
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one
SMILESO=C1OC2CCC(O1)c1ccccc12
InChIInChI=1S/C11H10O3/c12-11-13-9-5-6-10(14-11)8-4-2-1-3-7(8)9/h1-4,9-10H,5-6H2
InChIKeyYDABCASXOHDHNF-UHFFFAOYSA-N
XLogP2.73
TPSA35.53 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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one?
The IUPAC name of 9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one (CID 175866594) is 9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one.
What is the SMILES notation for 9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one?
The canonical SMILES for 9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one is O=C1OC2CCC(O1)c1ccccc12.
What is the InChIKey of 9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one?
The InChIKey is YDABCASXOHDHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-11-13-9-5-6-10(14-11)8-4-2-1-3-7(8)9/h1-4,9-10H,5-6H2.
What are the key properties of 9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one?
9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one has a molecular weight of 190.20 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one is sourced from PubChem (CID 175866594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).