6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione

C20H20O7 — CID 4309557

IUPAC6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione
SMILESCOc1cc2c(cc1OC)C(=O)c1ccc(OC)c(OC)c1OCC(=O)C2
InChIInChI=1S/C20H20O7/c1-23-15-6-5-13-18(22)14-9-17(25-3)16(24-2)8-11(14)7-12(21)10-27-19(13)20(15)26-4/h5-6,8-9H,7,10H2,1-4H3
InChIKeyOAQFLNPTAZZENS-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.46
Rot. Bonds4

About 6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione

6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione (PubChem CID 4309557) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is 6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione.

Molecular Properties

Compound Name6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione
PubChem CID4309557
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione
SMILESCOc1cc2c(cc1OC)C(=O)c1ccc(OC)c(OC)c1OCC(=O)C2
InChIInChI=1S/C20H20O7/c1-23-15-6-5-13-18(22)14-9-17(25-3)16(24-2)8-11(14)7-12(21)10-27-19(13)20(15)26-4/h5-6,8-9H,7,10H2,1-4H3
InChIKeyOAQFLNPTAZZENS-UHFFFAOYSA-N
XLogP2.46
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione?
The IUPAC name of 6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione (CID 4309557) is 6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione.
What is the SMILES notation for 6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione?
The canonical SMILES for 6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione is COc1cc2c(cc1OC)C(=O)c1ccc(OC)c(OC)c1OCC(=O)C2.
What is the InChIKey of 6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione?
The InChIKey is OAQFLNPTAZZENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c1-23-15-6-5-13-18(22)14-9-17(25-3)16(24-2)8-11(14)7-12(21)10-27-19(13)20(15)26-4/h5-6,8-9H,7,10H2,1-4H3.
What are the key properties of 6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione?
6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione has a molecular weight of 372.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione is sourced from PubChem (CID 4309557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).