(1S,3R,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene

C41H62O9Si2 — CID 11354686

About (1S,3R,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene

(1S,3R,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene (PubChem CID 11354686) has the molecular formula C41H62O9Si2 and a molecular weight of 755.11 g/mol. Its IUPAC name is (1S,3R,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene.

Molecular Properties

• Compound Name: (1S,3R,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene
• PubChem CID: 11354686
• Molecular Formula: C41H62O9Si2
• Molecular Weight: 755.11 g/mol
• Exact Mass: 754.39
• IUPAC Name: (1S,3R,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene
• SMILES: CC(C)[Si]1(C(C)C)OC[C@H]2O[C@H]3C=C[C@H]4O[C@H]5[C@H](OCc6ccccc6)[C@H]6OCC=CC[C@@H]6O[C@@H]5C[C@@H]4O[C@@H]3C/C=C\[C@@H]2O[Si](C(C)C)(C(C)C)O1
• InChI: InChI=1S/C41H62O9Si2/c1-26(2)51(27(3)4)44-25-38-34(49-52(50-51,28(5)6)29(7)8)19-14-18-31-32(46-38)20-21-33-36(45-31)23-37-40(48-33)41(43-24-30-15-10-9-11-16-30)39-35(47-37)17-12-13-22-42-39/h9-16,19-21,26-29,31-41H,17-18,22-25H2,1-8H3/b19-14-/t31-,32+,33-,34+,35+,36+,37-,38-,39+,40-,41-/m1/s1
• InChIKey: PQNFLSUAHJDJHL-LMDPMUSASA-N
• XLogP: 7.84
• TPSA: 83.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.11
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'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,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene?

The IUPAC name of (1S,3R,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene (CID 11354686) is (1S,3R,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene.

What is the SMILES notation for (1S,3R,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene?

The canonical SMILES for (1S,3R,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene is CC(C)[Si]1(C(C)C)OC[C@H]2O[C@H]3C=C[C@H]4O[C@H]5[C@H](OCc6ccccc6)[C@H]6OCC=CC[C@@H]6O[C@@H]5C[C@@H]4O[C@@H]3C/C=C\[C@@H]2O[Si](C(C)C)(C(C)C)O1.

What is the InChIKey of (1S,3R,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene?

The InChIKey is PQNFLSUAHJDJHL-LMDPMUSASA-N. The full InChI is InChI=1S/C41H62O9Si2/c1-26(2)51(27(3)4)44-25-38-34(49-52(50-51,28(5)6)29(7)8)19-14-18-31-32(46-38)20-21-33-36(45-31)23-37-40(48-33)41(43-24-30-15-10-9-11-16-30)39-35(47-37)17-12-13-22-42-39/h9-16,19-21,26-29,31-41H,17-18,22-25H2,1-8H3/b19-14-/t31-,32+,33-,34+,35+,36+,37-,38-,39+,40-,41-/m1/s1.

What are the key properties of (1S,3R,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene?

(1S,3R,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene has a molecular weight of 755.11 g/mol, XLogP of 7.84, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,3R,5Z,7S,14R,16S,19R,21R,22R,23S,29S,31R)-22-phenylmethoxy-9,9,11,11-tetra(propan-2-yl)-2,8,10,12,15,20,24,30-octaoxa-9,11-disilahexacyclo[17.13.0.03,16.07,14.021,31.023,29]dotriaconta-5,17,26-triene is sourced from PubChem (CID 11354686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).