tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium

C28H55O2Si2Y- — CID 135035939

About tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium

tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium (PubChem CID 135035939) has the molecular formula C28H55O2Si2Y- and a molecular weight of 568.82 g/mol. Its IUPAC name is tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium.

Molecular Properties

• Compound Name: tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium
• PubChem CID: 135035939
• Molecular Formula: C28H55O2Si2Y-
• Molecular Weight: 568.82 g/mol
• Exact Mass: 568.28
• IUPAC Name: tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium
• SMILES: C/[C-]=C\C(C)=C/[C@H](C)[C@@H](/C=C(\C)CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.[Y]
• InChI: InChI=1S/C28H55O2Si2.Y/c1-15-18-23(2)21-25(4)26(30-32(13,14)28(8,9)10)22-24(3)19-16-17-20-29-31(11,12)27(5,6)7;/h18,21-22,25-26H,16-17,19-20H2,1-14H3;/q-1;/b23-21-,24-22+;/t25-,26+;/m0./s1
• InChIKey: BNVJJBOESMSGNL-KRZJQRTCSA-N
• XLogP: 9.47
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.82
LogP ≤ 5	9.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium?

The IUPAC name of tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium (CID 135035939) is tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium.

What is the SMILES notation for tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium?

The canonical SMILES for tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium is C/[C-]=C\C(C)=C/[C@H](C)[C@@H](/C=C(\C)CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.[Y].

What is the InChIKey of tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium?

The InChIKey is BNVJJBOESMSGNL-KRZJQRTCSA-N. The full InChI is InChI=1S/C28H55O2Si2.Y/c1-15-18-23(2)21-25(4)26(30-32(13,14)28(8,9)10)22-24(3)19-16-17-20-29-31(11,12)27(5,6)7;/h18,21-22,25-26H,16-17,19-20H2,1-14H3;/q-1;/b23-21-,24-22+;/t25-,26+;/m0./s1.

What are the key properties of tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium?

tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium has a molecular weight of 568.82 g/mol, XLogP of 9.47, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium is sourced from PubChem (CID 135035939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).