triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane

C49H105IO5Si5 — CID 138981356

About triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane

triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane (PubChem CID 138981356) has the molecular formula C49H105IO5Si5 and a molecular weight of 1041.71 g/mol. Its IUPAC name is triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane.

Molecular Properties

• Compound Name: triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane
• PubChem CID: 138981356
• Molecular Formula: C49H105IO5Si5
• Molecular Weight: 1041.71 g/mol
• Exact Mass: 1040.59
• IUPAC Name: triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane
• SMILES: CC[C@@H](CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C/C=C/[C@@H](C[C@@H](C/C=C/I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
• InChI: InChI=1S/C49H105IO5Si5/c1-26-41(53-60(27-2,28-3)29-4)33-30-36-44(54-58(22,23)48(12,13)14)40(5)45(55-59(24,25)49(15,16)17)37-31-34-42(51-56(18,19)46(6,7)8)39-43(35-32-38-50)52-57(20,21)47(9,10)11/h31-32,34,38,40-45H,26-30,33,35-37,39H2,1-25H3/b34-31+,38-32+/t40-,41+,42+,43-,44+,45-/m1/s1
• InChIKey: WAJKWHFYDWDZAM-MZLCYZCFSA-N
• XLogP: 17.83
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 27
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.71
LogP ≤ 5	17.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane?

The IUPAC name of triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane (CID 138981356) is triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane.

What is the SMILES notation for triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane?

The canonical SMILES for triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane is CC[C@@H](CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C/C=C/[C@@H](C[C@@H](C/C=C/I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC.

What is the InChIKey of triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane?

The InChIKey is WAJKWHFYDWDZAM-MZLCYZCFSA-N. The full InChI is InChI=1S/C49H105IO5Si5/c1-26-41(53-60(27-2,28-3)29-4)33-30-36-44(54-58(22,23)48(12,13)14)40(5)45(55-59(24,25)49(15,16)17)37-31-34-42(51-56(18,19)46(6,7)8)39-43(35-32-38-50)52-57(20,21)47(9,10)11/h31-32,34,38,40-45H,26-30,33,35-37,39H2,1-25H3/b34-31+,38-32+/t40-,41+,42+,43-,44+,45-/m1/s1.

What are the key properties of triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane?

triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane has a molecular weight of 1041.71 g/mol, XLogP of 17.83, 27 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane is sourced from PubChem (CID 138981356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).