(2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol

C41H72O4Si — CID 45258190

About (2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol

(2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol (PubChem CID 45258190) has the molecular formula C41H72O4Si and a molecular weight of 657.11 g/mol. Its IUPAC name is (2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol.

Molecular Properties

• Compound Name: (2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol
• PubChem CID: 45258190
• Molecular Formula: C41H72O4Si
• Molecular Weight: 657.11 g/mol
• Exact Mass: 656.52
• IUPAC Name: (2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol
• SMILES: C/C=C(\C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](O)[C@H](C)/C=C(C)/C=C/C[C@@H](C)/C=C(\C=C\[C@H]1CC=C[C@H](OC(C)C)O1)CC
• InChI: InChI=1S/C41H72O4Si/c1-16-30(5)26-34(9)40(45-46(14,15)41(11,12)13)35(10)39(42)33(8)27-31(6)20-18-21-32(7)28-36(17-2)24-25-37-22-19-23-38(44-37)43-29(3)4/h16,18-20,23-25,27-29,32-35,37-40,42H,17,21-22,26H2,1-15H3/b20-18+,25-24+,30-16+,31-27+,36-28-/t32-,33-,34+,35-,37-,38-,39+,40-/m1/s1
• InChIKey: SQZFVAVDSFEZIJ-CGBBWRAUSA-N
• XLogP: 11.52
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.11
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol?

The IUPAC name of (2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol (CID 45258190) is (2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol.

What is the SMILES notation for (2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol?

The canonical SMILES for (2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol is C/C=C(\C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](O)[C@H](C)/C=C(C)/C=C/C[C@@H](C)/C=C(\C=C\[C@H]1CC=C[C@H](OC(C)C)O1)CC.

What is the InChIKey of (2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol?

The InChIKey is SQZFVAVDSFEZIJ-CGBBWRAUSA-N. The full InChI is InChI=1S/C41H72O4Si/c1-16-30(5)26-34(9)40(45-46(14,15)41(11,12)13)35(10)39(42)33(8)27-31(6)20-18-21-32(7)28-36(17-2)24-25-37-22-19-23-38(44-37)43-29(3)4/h16,18-20,23-25,27-29,32-35,37-40,42H,17,21-22,26H2,1-15H3/b20-18+,25-24+,30-16+,31-27+,36-28-/t32-,33-,34+,35-,37-,38-,39+,40-/m1/s1.

What are the key properties of (2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol?

(2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol has a molecular weight of 657.11 g/mol, XLogP of 11.52, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5S,6R,7R,8S,9R,10E,12E,15R,16Z,18E)-6-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-3,5,7,9,11,15-hexamethyl-19-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaen-8-ol is sourced from PubChem (CID 45258190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).