tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane

C26H49BO3Si — CID 154715582

About tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane

tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane (PubChem CID 154715582) has the molecular formula C26H49BO3Si and a molecular weight of 448.57 g/mol. Its IUPAC name is tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane
• PubChem CID: 154715582
• Molecular Formula: C26H49BO3Si
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.35
• IUPAC Name: tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane
• SMILES: CC(C)=CCC/C(C)=C/C/C(CO[Si](C)(C)C(C)(C)C)=C(/C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C26H49BO3Si/c1-20(2)15-14-16-21(3)17-18-23(19-28-31(12,13)24(5,6)7)22(4)27-29-25(8,9)26(10,11)30-27/h15,17H,14,16,18-19H2,1-13H3/b21-17+,23-22+
• InChIKey: ZMRGHJGVZXPGQV-SZVLODPRSA-N
• XLogP: 8.04
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane (CID 154715582) is tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane is CC(C)=CCC/C(C)=C/C/C(CO[Si](C)(C)C(C)(C)C)=C(/C)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane?

The InChIKey is ZMRGHJGVZXPGQV-SZVLODPRSA-N. The full InChI is InChI=1S/C26H49BO3Si/c1-20(2)15-14-16-21(3)17-18-23(19-28-31(12,13)24(5,6)7)22(4)27-29-25(8,9)26(10,11)30-27/h15,17H,14,16,18-19H2,1-13H3/b21-17+,23-22+.

What are the key properties of tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane?

tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane has a molecular weight of 448.57 g/mol, XLogP of 8.04, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2Z,4E)-5,9-dimethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethylidene]deca-4,8-dienoxy]-dimethylsilane is sourced from PubChem (CID 154715582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).