5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid

C56H100O15Si4 — CID 18716727

About 5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid

5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 18716727) has the molecular formula C56H100O15Si4 and a molecular weight of 1125.74 g/mol. Its IUPAC name is 5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid
• PubChem CID: 18716727
• Molecular Formula: C56H100O15Si4
• Molecular Weight: 1125.74 g/mol
• Exact Mass: 1124.61
• IUPAC Name: 5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid
• SMILES: CCC1C(=O)OC(=O)C1CCC1C(CCC2C3CC(C(=O)OC(C)(C)C)C(C3)C2CCC(C)(CC)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](CC)(CC)CC)C2CC1C(C(=O)OCCCO)C2C(=O)O
• InChI: InChI=1S/C56H100O15Si4/c1-16-37-42(51(61)67-50(37)60)26-25-40-39(44-35-45(40)48(47(44)49(58)59)53(63)65-30-21-29-57)24-23-38-36-33-43(46(34-36)52(62)68-55(6,7)8)41(38)27-28-56(9,17-2)54(64)66-31-22-32-75(69-72(10,11)12,70-73(13,14)15)71-74(18-3,19-4)20-5/h36-48,57H,16-35H2,1-15H3,(H,58,59)
• InChIKey: LSNDHNJIOZZKQG-UHFFFAOYSA-N
• XLogP: 11.42
• TPSA: 207.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 31
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1125.74
LogP ≤ 5	11.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid?

The IUPAC name of 5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 18716727) is 5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid.

What is the SMILES notation for 5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid?

The canonical SMILES for 5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid is CCC1C(=O)OC(=O)C1CCC1C(CCC2C3CC(C(=O)OC(C)(C)C)C(C3)C2CCC(C)(CC)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](CC)(CC)CC)C2CC1C(C(=O)OCCCO)C2C(=O)O.

What is the InChIKey of 5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid?

The InChIKey is LSNDHNJIOZZKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H100O15Si4/c1-16-37-42(51(61)67-50(37)60)26-25-40-39(44-35-45(40)48(47(44)49(58)59)53(63)65-30-21-29-57)24-23-38-36-33-43(46(34-36)52(62)68-55(6,7)8)41(38)27-28-56(9,17-2)54(64)66-31-22-32-75(69-72(10,11)12,70-73(13,14)15)71-74(18-3,19-4)20-5/h36-48,57H,16-35H2,1-15H3,(H,58,59).

What are the key properties of 5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid?

5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 1125.74 g/mol, XLogP of 11.42, 31 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-3-(3-hydroxypropoxycarbonyl)-6-[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-[3-methyl-3-[3-[triethylsilyloxy-bis(trimethylsilyloxy)silyl]propoxycarbonyl]pentyl]-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 18716727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).