tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane

C26H51IO2Si2 — CID 135036510

About tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane

tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane (PubChem CID 135036510) has the molecular formula C26H51IO2Si2 and a molecular weight of 578.77 g/mol. Its IUPAC name is tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane
• PubChem CID: 135036510
• Molecular Formula: C26H51IO2Si2
• Molecular Weight: 578.77 g/mol
• Exact Mass: 578.25
• IUPAC Name: tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane
• SMILES: C/C(I)=C/C(C)=C\[C@@H](C)[C@H](/C=C(\C)CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H51IO2Si2/c1-20(15-16-28-30(11,12)25(5,6)7)19-24(29-31(13,14)26(8,9)10)22(3)17-21(2)18-23(4)27/h17-19,22,24H,15-16H2,1-14H3/b20-19+,21-17-,23-18-/t22-,24+/m1/s1
• InChIKey: DUDDBJPJYHVUNC-BUICGJFYSA-N
• XLogP: 9.66
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.77
LogP ≤ 5	9.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane (CID 135036510) is tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane is C/C(I)=C/C(C)=C\[C@@H](C)[C@H](/C=C(\C)CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane?

The InChIKey is DUDDBJPJYHVUNC-BUICGJFYSA-N. The full InChI is InChI=1S/C26H51IO2Si2/c1-20(15-16-28-30(11,12)25(5,6)7)19-24(29-31(13,14)26(8,9)10)22(3)17-21(2)18-23(4)27/h17-19,22,24H,15-16H2,1-14H3/b20-19+,21-17-,23-18-/t22-,24+/m1/s1.

What are the key properties of tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane?

tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane has a molecular weight of 578.77 g/mol, XLogP of 9.66, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane is sourced from PubChem (CID 135036510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).