7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione

C16H12O4 — CID 67910781

IUPAC7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione
SMILESO=C1OCCOC(=O)c2ccc(cc2)-c2ccc1cc2
InChIInChI=1S/C16H12O4/c17-15-13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(18)20-10-9-19-15/h1-8H,9-10H2
InChIKeyFOTLBBZESRYMDV-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.68
Rot. Bonds

About 7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione

7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione (PubChem CID 67910781) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione.

Molecular Properties

Compound Name7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione
PubChem CID67910781
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione
SMILESO=C1OCCOC(=O)c2ccc(cc2)-c2ccc1cc2
InChIInChI=1S/C16H12O4/c17-15-13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(18)20-10-9-19-15/h1-8H,9-10H2
InChIKeyFOTLBBZESRYMDV-UHFFFAOYSA-N
XLogP2.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione?
The IUPAC name of 7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione (CID 67910781) is 7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione.
What is the SMILES notation for 7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione?
The canonical SMILES for 7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione is O=C1OCCOC(=O)c2ccc(cc2)-c2ccc1cc2.
What is the InChIKey of 7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione?
The InChIKey is FOTLBBZESRYMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-15-13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(18)20-10-9-19-15/h1-8H,9-10H2.
What are the key properties of 7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione?
7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione has a molecular weight of 268.27 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione is sourced from PubChem (CID 67910781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).