[(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol

C68H110O12Si3 — CID 11389227

About [(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol

[(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol (PubChem CID 11389227) has the molecular formula C68H110O12Si3 and a molecular weight of 1203.87 g/mol. Its IUPAC name is [(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol.

Molecular Properties

• Compound Name: [(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol
• PubChem CID: 11389227
• Molecular Formula: C68H110O12Si3
• Molecular Weight: 1203.87 g/mol
• Exact Mass: 1202.73
• IUPAC Name: [(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol
• SMILES: CC(C)[Si](O[C@H]1C[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H]5O[C@]6(C)C[C@]7(C)O[C@@H]8C=C[C@](C)(O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]8C[C@H]7O[C@H]6CC[C@H]5O[C@H]4C[C@@]3(C)O[C@@]12C)(C(C)C)C(C)C
• InChI: InChI=1S/C68H110O12Si3/c1-44(2)82(45(3)4,46(5)6)78-60-37-47(27-26-36-70-83(63(10,11)12,48-28-22-20-23-29-48)49-30-24-21-25-31-49)71-59-40-58-65(14,79-68(59,60)17)41-55-52(73-58)38-54-50(72-55)32-33-56-66(15,77-54)43-67(16)57(75-56)39-53-51(76-67)34-35-64(13,61(42-69)74-53)80-81(18,19)62(7,8)9/h20-25,28-31,34-35,44-47,50-61,69H,26-27,32-33,36-43H2,1-19H3/t47-,50+,51+,52+,53-,54-,55-,56-,57+,58-,59+,60-,61+,64-,65+,66+,67-,68+/m0/s1
• InChIKey: MILMBKFMENBBSK-WCKCGQHISA-N
• XLogP: 13.05
• TPSA: 121.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1203.87
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol?

The IUPAC name of [(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol (CID 11389227) is [(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol.

What is the SMILES notation for [(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol?

The canonical SMILES for [(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol is CC(C)[Si](O[C@H]1C[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H]5O[C@]6(C)C[C@]7(C)O[C@@H]8C=C[C@](C)(O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]8C[C@H]7O[C@H]6CC[C@H]5O[C@H]4C[C@@]3(C)O[C@@]12C)(C(C)C)C(C)C.

What is the InChIKey of [(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol?

The InChIKey is MILMBKFMENBBSK-WCKCGQHISA-N. The full InChI is InChI=1S/C68H110O12Si3/c1-44(2)82(45(3)4,46(5)6)78-60-37-47(27-26-36-70-83(63(10,11)12,48-28-22-20-23-29-48)49-30-24-21-25-31-49)71-59-40-58-65(14,79-68(59,60)17)41-55-52(73-58)38-54-50(72-55)32-33-56-66(15,77-54)43-67(16)57(75-56)39-53-51(76-67)34-35-64(13,61(42-69)74-53)80-81(18,19)62(7,8)9/h20-25,28-31,34-35,44-47,50-61,69H,26-27,32-33,36-43H2,1-19H3/t47-,50+,51+,52+,53-,54-,55-,56-,57+,58-,59+,60-,61+,64-,65+,66+,67-,68+/m0/s1.

What are the key properties of [(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol?

[(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol has a molecular weight of 1203.87 g/mol, XLogP of 13.05, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3R,5S,7R,10S,11R,13S,15R,17S,20R,22S,24R,26R,27S,29S,31R,33S,35R)-10-[tert-butyl(dimethyl)silyl]oxy-29-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,5,10,24,26-pentamethyl-27-tri(propan-2-yl)silyloxy-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.03,17.05,15.07,13.022,35.024,33.026,31]hexatriacont-8-en-11-yl]methanol is sourced from PubChem (CID 11389227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).