[(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane

C32H66O3Si3 — CID 11731540

About [(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane

[(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane (PubChem CID 11731540) has the molecular formula C32H66O3Si3 and a molecular weight of 583.14 g/mol. Its IUPAC name is [(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane.

Molecular Properties

• Compound Name: [(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane
• PubChem CID: 11731540
• Molecular Formula: C32H66O3Si3
• Molecular Weight: 583.14 g/mol
• Exact Mass: 582.43
• IUPAC Name: [(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane
• SMILES: CCC(=C/[C@H](C)CO[Si](CC)(CC)CC)/C=C/[C@@H](C/C=C\CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C32H66O3Si3/c1-16-29(26-28(5)27-34-38(17-2,18-3)19-4)23-24-30(35-37(14,15)32(9,10)11)22-20-21-25-33-36(12,13)31(6,7)8/h20-21,23-24,26,28,30H,16-19,22,25,27H2,1-15H3/b21-20-,24-23+,29-26-/t28-,30+/m0/s1
• InChIKey: YMMMBQRXGQUBRK-YVYBJQPWSA-N
• XLogP: 10.90
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 17
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.14
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 [(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane?

The IUPAC name of [(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane (CID 11731540) is [(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane.

What is the SMILES notation for [(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane?

The canonical SMILES for [(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane is CCC(=C/[C@H](C)CO[Si](CC)(CC)CC)/C=C/[C@@H](C/C=C\CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane?

The InChIKey is YMMMBQRXGQUBRK-YVYBJQPWSA-N. The full InChI is InChI=1S/C32H66O3Si3/c1-16-29(26-28(5)27-34-38(17-2,18-3)19-4)23-24-30(35-37(14,15)32(9,10)11)22-20-21-25-33-36(12,13)31(6,7)8/h20-21,23-24,26,28,30H,16-19,22,25,27H2,1-15H3/b21-20-,24-23+,29-26-/t28-,30+/m0/s1.

What are the key properties of [(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane?

[(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane has a molecular weight of 583.14 g/mol, XLogP of 10.90, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane is sourced from PubChem (CID 11731540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).