6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone

C22H16O6 — CID 102585768

IUPAC6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone
SMILESCOC1=CC(=O)C23C1=CC(=O)C1C4C2C2C3C(=O)C=C3C(OC)=CC(=O)C31C24
InChIInChI=1S/C22H16O6/c1-27-11-5-13(25)21-7(11)3-9(23)18-16-19(21)15-17(21)10(24)4-8-12(28-2)6-14(26)22(8,18)20(15)16/h3-6,15-20H,1-2H3
InChIKeyVHIQWGDHSQXUIZ-UHFFFAOYSA-N
MW376.36 g/mol
LogP0.94
Rot. Bonds2

About 6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone

6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone (PubChem CID 102585768) has the molecular formula C22H16O6 and a molecular weight of 376.36 g/mol. Its IUPAC name is 6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone.

Molecular Properties

Compound Name6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone
PubChem CID102585768
Molecular FormulaC22H16O6
Molecular Weight376.36 g/mol
Exact Mass376.09
IUPAC Name6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone
SMILESCOC1=CC(=O)C23C1=CC(=O)C1C4C2C2C3C(=O)C=C3C(OC)=CC(=O)C31C24
InChIInChI=1S/C22H16O6/c1-27-11-5-13(25)21-7(11)3-9(23)18-16-19(21)15-17(21)10(24)4-8-12(28-2)6-14(26)22(8,18)20(15)16/h3-6,15-20H,1-2H3
InChIKeyVHIQWGDHSQXUIZ-UHFFFAOYSA-N
XLogP0.94
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone?
The IUPAC name of 6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone (CID 102585768) is 6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone.
What is the SMILES notation for 6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone?
The canonical SMILES for 6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone is COC1=CC(=O)C23C1=CC(=O)C1C4C2C2C3C(=O)C=C3C(OC)=CC(=O)C31C24.
What is the InChIKey of 6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone?
The InChIKey is VHIQWGDHSQXUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O6/c1-27-11-5-13(25)21-7(11)3-9(23)18-16-19(21)15-17(21)10(24)4-8-12(28-2)6-14(26)22(8,18)20(15)16/h3-6,15-20H,1-2H3.
What are the key properties of 6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone?
6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone has a molecular weight of 376.36 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-dimethoxyheptacyclo[10.8.0.01,17.02,11.05,9.09,14.010,13]icosa-4,6,16,18-tetraene-3,8,15,20-tetrone is sourced from PubChem (CID 102585768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).