tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane

C26H52O3Si — CID 11102257

About tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane

tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane (PubChem CID 11102257) has the molecular formula C26H52O3Si and a molecular weight of 440.79 g/mol. Its IUPAC name is tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane
• PubChem CID: 11102257
• Molecular Formula: C26H52O3Si
• Molecular Weight: 440.79 g/mol
• Exact Mass: 440.37
• IUPAC Name: tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane
• SMILES: CCCCCCC1(C/C=C\CCCCCCCCO[Si](C)(C)C(C)(C)C)OCCO1
• InChI: InChI=1S/C26H52O3Si/c1-7-8-9-17-20-26(27-23-24-28-26)21-18-15-13-11-10-12-14-16-19-22-29-30(5,6)25(2,3)4/h15,18H,7-14,16-17,19-24H2,1-6H3/b18-15-
• InChIKey: XVJQBEYTRGERBP-SDXDJHTJSA-N
• XLogP: 8.40
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 17
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.79
LogP ≤ 5	8.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane (CID 11102257) is tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane is CCCCCCC1(C/C=C\CCCCCCCCO[Si](C)(C)C(C)(C)C)OCCO1.

What is the InChIKey of tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane?

The InChIKey is XVJQBEYTRGERBP-SDXDJHTJSA-N. The full InChI is InChI=1S/C26H52O3Si/c1-7-8-9-17-20-26(27-23-24-28-26)21-18-15-13-11-10-12-14-16-19-22-29-30(5,6)25(2,3)4/h15,18H,7-14,16-17,19-24H2,1-6H3/b18-15-.

What are the key properties of tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane?

tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane has a molecular weight of 440.79 g/mol, XLogP of 8.40, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane is sourced from PubChem (CID 11102257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).