4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione

C21H20O6 — CID 137412659

IUPAC4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione
SMILESCOc1cc2c(cc1OC)C1CC(C2=O)c2cc(OC)c(OC)cc2C1=O
InChIInChI=1S/C21H20O6/c1-24-16-6-10-12-5-13(21(23)14(10)8-18(16)26-3)11-7-17(25-2)19(27-4)9-15(11)20(12)22/h6-9,12-13H,5H2,1-4H3
InChIKeyWEUPSDJMEGJAAU-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.37
Rot. Bonds4

About 4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione

4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione (PubChem CID 137412659) has the molecular formula C21H20O6 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione.

Molecular Properties

Compound Name4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione
PubChem CID137412659
Molecular FormulaC21H20O6
Molecular Weight368.39 g/mol
Exact Mass368.13
IUPAC Name4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione
SMILESCOc1cc2c(cc1OC)C1CC(C2=O)c2cc(OC)c(OC)cc2C1=O
InChIInChI=1S/C21H20O6/c1-24-16-6-10-12-5-13(21(23)14(10)8-18(16)26-3)11-7-17(25-2)19(27-4)9-15(11)20(12)22/h6-9,12-13H,5H2,1-4H3
InChIKeyWEUPSDJMEGJAAU-UHFFFAOYSA-N
XLogP3.37
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione?
The IUPAC name of 4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione (CID 137412659) is 4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione.
What is the SMILES notation for 4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione?
The canonical SMILES for 4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione is COc1cc2c(cc1OC)C1CC(C2=O)c2cc(OC)c(OC)cc2C1=O.
What is the InChIKey of 4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione?
The InChIKey is WEUPSDJMEGJAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O6/c1-24-16-6-10-12-5-13(21(23)14(10)8-18(16)26-3)11-7-17(25-2)19(27-4)9-15(11)20(12)22/h6-9,12-13H,5H2,1-4H3.
What are the key properties of 4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione?
4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione has a molecular weight of 368.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione is sourced from PubChem (CID 137412659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).