20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione

C25H29F3O8 — CID 91041500

About 20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione

20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione (PubChem CID 91041500) has the molecular formula C25H29F3O8 and a molecular weight of 514.49 g/mol. Its IUPAC name is 20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione.

Molecular Properties

• Compound Name: 20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione
• PubChem CID: 91041500
• Molecular Formula: C25H29F3O8
• Molecular Weight: 514.49 g/mol
• Exact Mass: 514.18
• IUPAC Name: 20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione
• SMILES: COCOc1cc(OC)cc2c1C(=O)OC(C)C(C(F)(F)F)=CCC(=O)C1OC(C)(C)OC1CC=C2
• InChI: InChI=1S/C25H29F3O8/c1-14-17(25(26,27)28)9-10-18(29)22-19(35-24(2,3)36-22)8-6-7-15-11-16(32-5)12-20(33-13-31-4)21(15)23(30)34-14/h6-7,9,11-12,14,19,22H,8,10,13H2,1-5H3
• InChIKey: SYEUEUUGWNFNCR-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.49
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione?

The IUPAC name of 20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione (CID 91041500) is 20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione.

What is the SMILES notation for 20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione?

The canonical SMILES for 20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione is COCOc1cc(OC)cc2c1C(=O)OC(C)C(C(F)(F)F)=CCC(=O)C1OC(C)(C)OC1CC=C2.

What is the InChIKey of 20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione?

The InChIKey is SYEUEUUGWNFNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3O8/c1-14-17(25(26,27)28)9-10-18(29)22-19(35-24(2,3)36-22)8-6-7-15-11-16(32-5)12-20(33-13-31-4)21(15)23(30)34-14/h6-7,9,11-12,14,19,22H,8,10,13H2,1-5H3.

What are the key properties of 20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione?

20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione has a molecular weight of 514.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione is sourced from PubChem (CID 91041500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).