tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane

C33H48OSi — CID 10624878

About tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane

tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane (PubChem CID 10624878) has the molecular formula C33H48OSi and a molecular weight of 488.83 g/mol. Its IUPAC name is tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane
• PubChem CID: 10624878
• Molecular Formula: C33H48OSi
• Molecular Weight: 488.83 g/mol
• Exact Mass: 488.35
• IUPAC Name: tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane
• SMILES: CC/C(C)=C\CC/C(C)=C/CC/C(=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC
• InChI: InChI=1S/C33H48OSi/c1-8-28(3)18-16-19-29(4)20-17-21-30(9-2)26-27-34-35(33(5,6)7,31-22-12-10-13-23-31)32-24-14-11-15-25-32/h10-15,18,20,22-26H,8-9,16-17,19,21,27H2,1-7H3/b28-18-,29-20+,30-26+
• InChIKey: OSBXJHIKGWTFFO-HJJUHVBWSA-N
• XLogP: 8.76
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.83
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane (CID 10624878) is tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane is CC/C(C)=C\CC/C(C)=C/CC/C(=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC.

What is the InChIKey of tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane?

The InChIKey is OSBXJHIKGWTFFO-HJJUHVBWSA-N. The full InChI is InChI=1S/C33H48OSi/c1-8-28(3)18-16-19-29(4)20-17-21-30(9-2)26-27-34-35(33(5,6)7,31-22-12-10-13-23-31)32-24-14-11-15-25-32/h10-15,18,20,22-26H,8-9,16-17,19,21,27H2,1-7H3/b28-18-,29-20+,30-26+.

What are the key properties of tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane?

tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane has a molecular weight of 488.83 g/mol, XLogP of 8.76, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane is sourced from PubChem (CID 10624878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).