[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine

C85H134N4O12Si4 — CID 163814633

About [(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine

[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine (PubChem CID 163814633) has the molecular formula C85H134N4O12Si4 and a molecular weight of 1516.37 g/mol. Its IUPAC name is [(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine.

Molecular Properties

• Compound Name: [(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine
• PubChem CID: 163814633
• Molecular Formula: C85H134N4O12Si4
• Molecular Weight: 1516.37 g/mol
• Exact Mass: 1514.91
• IUPAC Name: [(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine
• SMILES: C1CCNCC1.CC#CC[C@H](C)[C@@H](/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)OCC[Si](C)(C)C)c3O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C)OC(=O)N1CCCCC1.CC#CC[C@H](C)[C@@H](/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)OCC[Si](C)(C)C)c3O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C)OC(=O)n1ccnc1
• InChI: InChI=1S/C41H65NO6Si2.C39H58N2O6Si2.C5H11N/c1-11-12-18-30(2)34(47-40(44)42-25-14-13-15-26-42)24-23-32-35(48-50(9,10)41(3,4)5)29-36-38(32)33-21-16-19-31(39(33)46-36)20-17-22-37(43)45-27-28-49(6,7)8;1-11-12-15-28(2)32(46-38(43)41-23-22-40-27-41)21-20-30-33(47-49(9,10)39(3,4)5)26-34-36(30)31-18-13-16-29(37(31)45-34)17-14-19-35(42)44-24-25-48(6,7)8;1-2-4-6-5-3-1/h16,19,21,23-24,30,32,34-36,38H,13-15,17-18,20,22,25-29H2,1-10H3;13,16,18,20-23,27-28,30,32-34,36H,14-15,17,19,24-26H2,1-10H3;6H,1-5H2/b24-23+;21-20+;/t30-,32-,34+,35+,36-,38-;28-,30-,32+,33+,34-,36-;/m00./s1
• InChIKey: NQFNTSMBOBHGGA-JMFVEIKUSA-N
• XLogP: 19.50
• TPSA: 175.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 28
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1516.37
LogP ≤ 5	19.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine?

The IUPAC name of [(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine (CID 163814633) is [(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine.

What is the SMILES notation for [(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine?

The canonical SMILES for [(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine is C1CCNCC1.CC#CC[C@H](C)[C@@H](/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)OCC[Si](C)(C)C)c3O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C)OC(=O)N1CCCCC1.CC#CC[C@H](C)[C@@H](/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)OCC[Si](C)(C)C)c3O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C)OC(=O)n1ccnc1.

What is the InChIKey of [(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine?

The InChIKey is NQFNTSMBOBHGGA-JMFVEIKUSA-N. The full InChI is InChI=1S/C41H65NO6Si2.C39H58N2O6Si2.C5H11N/c1-11-12-18-30(2)34(47-40(44)42-25-14-13-15-26-42)24-23-32-35(48-50(9,10)41(3,4)5)29-36-38(32)33-21-16-19-31(39(33)46-36)20-17-22-37(43)45-27-28-49(6,7)8;1-11-12-15-28(2)32(46-38(43)41-23-22-40-27-41)21-20-30-33(47-49(9,10)39(3,4)5)26-34-36(30)31-18-13-16-29(37(31)45-34)17-14-19-35(42)44-24-25-48(6,7)8;1-2-4-6-5-3-1/h16,19,21,23-24,30,32,34-36,38H,13-15,17-18,20,22,25-29H2,1-10H3;13,16,18,20-23,27-28,30,32-34,36H,14-15,17,19,24-26H2,1-10H3;6H,1-5H2/b24-23+;21-20+;/t30-,32-,34+,35+,36-,38-;28-,30-,32+,33+,34-,36-;/m00./s1.

What are the key properties of [(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine?

[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine has a molecular weight of 1516.37 g/mol, XLogP of 19.50, 28 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] imidazole-1-carboxylate;[(E,3S,4S)-1-[(1R,2R,3aS,8bS)-2-[tert-butyl(dimethyl)silyl]oxy-5-[4-oxo-4-(2-trimethylsilylethoxy)butyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl]-4-methyloct-1-en-6-yn-3-yl] piperidine-1-carboxylate;piperidine is sourced from PubChem (CID 163814633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).