[(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate

C36H48O9Si — CID 173472233

About [(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate

[(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate (PubChem CID 173472233) has the molecular formula C36H48O9Si and a molecular weight of 652.86 g/mol. Its IUPAC name is [(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate.

Molecular Properties

• Compound Name: [(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate
• PubChem CID: 173472233
• Molecular Formula: C36H48O9Si
• Molecular Weight: 652.86 g/mol
• Exact Mass: 652.31
• IUPAC Name: [(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate
• SMILES: COCOc1cc(OCC[Si](C)(C)C)cc2c1C(=O)O[C@@H](C)[C@H](C)/C=C\C(OC(=O)c1ccccc1)[C@H]1OC(C)(C)O[C@H]1CC=C2
• InChI: InChI=1S/C36H48O9Si/c1-24-17-18-29(43-34(37)26-13-10-9-11-14-26)33-30(44-36(3,4)45-33)16-12-15-27-21-28(40-19-20-46(6,7)8)22-31(41-23-39-5)32(27)35(38)42-25(24)2/h9-15,17-18,21-22,24-25,29-30,33H,16,19-20,23H2,1-8H3/b15-12?,18-17-/t24-,25+,29?,30+,33-/m1/s1
• InChIKey: RWGWMVDZWDRVGG-UPHJJVHQSA-N
• XLogP: 7.29
• TPSA: 98.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.86
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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 [(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate?

The IUPAC name of [(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate (CID 173472233) is [(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate.

What is the SMILES notation for [(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate?

The canonical SMILES for [(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate is COCOc1cc(OCC[Si](C)(C)C)cc2c1C(=O)O[C@@H](C)[C@H](C)/C=C\C(OC(=O)c1ccccc1)[C@H]1OC(C)(C)O[C@H]1CC=C2.

What is the InChIKey of [(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate?

The InChIKey is RWGWMVDZWDRVGG-UPHJJVHQSA-N. The full InChI is InChI=1S/C36H48O9Si/c1-24-17-18-29(43-34(37)26-13-10-9-11-14-26)33-30(44-36(3,4)45-33)16-12-15-27-21-28(40-19-20-46(6,7)8)22-31(41-23-39-5)32(27)35(38)42-25(24)2/h9-15,17-18,21-22,24-25,29-30,33H,16,19-20,23H2,1-8H3/b15-12?,18-17-/t24-,25+,29?,30+,33-/m1/s1.

What are the key properties of [(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate?

[(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate has a molecular weight of 652.86 g/mol, XLogP of 7.29, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S,9S,11Z,13R,14S)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-20-(2-trimethylsilylethoxy)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate is sourced from PubChem (CID 173472233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).