(5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol

C35H48O4Si — CID 10792988

About (5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol

(5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol (PubChem CID 10792988) has the molecular formula C35H48O4Si and a molecular weight of 560.85 g/mol. Its IUPAC name is (5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol.

Molecular Properties

• Compound Name: (5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol
• PubChem CID: 10792988
• Molecular Formula: C35H48O4Si
• Molecular Weight: 560.85 g/mol
• Exact Mass: 560.33
• IUPAC Name: (5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol
• SMILES: CC/C=C/C/C=C\C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)CC#CCOC1CCCCO1
• InChI: InChI=1S/C35H48O4Si/c1-5-6-7-8-9-16-26-33(32(36)25-17-19-28-37-34-27-18-20-29-38-34)39-40(35(2,3)4,30-21-12-10-13-22-30)31-23-14-11-15-24-31/h6-7,9-16,21-24,32-34,36H,5,8,18,20,25-29H2,1-4H3/b7-6+,16-9-/t32-,33+,34?/m1/s1
• InChIKey: AADBGAYZFFSKMS-RGEAOQCKSA-N
• XLogP: 6.53
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.85
LogP ≤ 5	6.53
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': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol?

The IUPAC name of (5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol (CID 10792988) is (5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol.

What is the SMILES notation for (5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol?

The canonical SMILES for (5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol is CC/C=C/C/C=C\C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)CC#CCOC1CCCCO1.

What is the InChIKey of (5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol?

The InChIKey is AADBGAYZFFSKMS-RGEAOQCKSA-N. The full InChI is InChI=1S/C35H48O4Si/c1-5-6-7-8-9-16-26-33(32(36)25-17-19-28-37-34-27-18-20-29-38-34)39-40(35(2,3)4,30-21-12-10-13-22-30)31-23-14-11-15-24-31/h6-7,9-16,21-24,32-34,36H,5,8,18,20,25-29H2,1-4H3/b7-6+,16-9-/t32-,33+,34?/m1/s1.

What are the key properties of (5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol?

(5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol has a molecular weight of 560.85 g/mol, XLogP of 6.53, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol is sourced from PubChem (CID 10792988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).