tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane

C26H51IO2Si2 — CID 10907988

About tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane

tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane (PubChem CID 10907988) has the molecular formula C26H51IO2Si2 and a molecular weight of 578.77 g/mol. Its IUPAC name is tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane
• PubChem CID: 10907988
• Molecular Formula: C26H51IO2Si2
• Molecular Weight: 578.77 g/mol
• Exact Mass: 578.25
• IUPAC Name: tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane
• SMILES: CCC(=C/[C@H](C)CI)/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/C26H51IO2Si2/c1-13-23(20-22(2)21-27)17-18-24(29-31(11,12)26(6,7)8)16-14-15-19-28-30(9,10)25(3,4)5/h14-15,17-18,20,22,24H,13,16,19,21H2,1-12H3/b15-14-,18-17+,23-20-/t22-,24+/m0/s1
• InChIKey: ZNLRWQOZIMZZDY-GJWPYDAGSA-N
• XLogP: 9.31
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.77
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane (CID 10907988) is tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane is CCC(=C/[C@H](C)CI)/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 tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane?

The InChIKey is ZNLRWQOZIMZZDY-GJWPYDAGSA-N. The full InChI is InChI=1S/C26H51IO2Si2/c1-13-23(20-22(2)21-27)17-18-24(29-31(11,12)26(6,7)8)16-14-15-19-28-30(9,10)25(3,4)5/h14-15,17-18,20,22,24H,13,16,19,21H2,1-12H3/b15-14-,18-17+,23-20-/t22-,24+/m0/s1.

What are the key properties of tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane?

tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane has a molecular weight of 578.77 g/mol, XLogP of 9.31, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane is sourced from PubChem (CID 10907988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).