tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane

C30H58O2Si2 — CID 132604938

About tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane

tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane (PubChem CID 132604938) has the molecular formula C30H58O2Si2 and a molecular weight of 506.96 g/mol. Its IUPAC name is tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane
• PubChem CID: 132604938
• Molecular Formula: C30H58O2Si2
• Molecular Weight: 506.96 g/mol
• Exact Mass: 506.40
• IUPAC Name: tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane
• SMILES: C=C/C(C)=C\C(C)=C/[C@H](C)C(/C=C(\C)CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C30H58O2Si2/c1-16-24(2)21-26(4)22-27(5)28(32-34(14,15)30(9,10)11)23-25(3)19-17-18-20-31-33(12,13)29(6,7)8/h16,21-23,27-28H,1,17-20H2,2-15H3/b24-21-,25-23+,26-22-/t27-,28?/m0/s1
• InChIKey: NABUXMZZJLSAMD-JGYSOMJZSA-N
• XLogP: 10.23
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.96
LogP ≤ 5	10.23
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': '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,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane (CID 132604938) is tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane is C=C/C(C)=C\C(C)=C/[C@H](C)C(/C=C(\C)CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane?

The InChIKey is NABUXMZZJLSAMD-JGYSOMJZSA-N. The full InChI is InChI=1S/C30H58O2Si2/c1-16-24(2)21-26(4)22-27(5)28(32-34(14,15)30(9,10)11)23-25(3)19-17-18-20-31-33(12,13)29(6,7)8/h16,21-23,27-28H,1,17-20H2,2-15H3/b24-21-,25-23+,26-22-/t27-,28?/m0/s1.

What are the key properties of tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane?

tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane has a molecular weight of 506.96 g/mol, XLogP of 10.23, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane is sourced from PubChem (CID 132604938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).