tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane

C26H51BO3Si — CID 154711819

About tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane

tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane (PubChem CID 154711819) has the molecular formula C26H51BO3Si and a molecular weight of 450.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane
• PubChem CID: 154711819
• Molecular Formula: C26H51BO3Si
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.37
• IUPAC Name: tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane
• SMILES: C/C(=C/C=C/CCCCCCCCCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C26H51BO3Si/c1-23(27-29-25(5,6)26(7,8)30-27)21-19-17-15-13-11-12-14-16-18-20-22-28-31(9,10)24(2,3)4/h17,19,21H,11-16,18,20,22H2,1-10H3/b19-17+,23-21-
• InChIKey: WTYQJAJDGSYBRX-HQEHMMIPSA-N
• XLogP: 8.26
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	8.26
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': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane (CID 154711819) is tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane is C/C(=C/C=C/CCCCCCCCCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane?

The InChIKey is WTYQJAJDGSYBRX-HQEHMMIPSA-N. The full InChI is InChI=1S/C26H51BO3Si/c1-23(27-29-25(5,6)26(7,8)30-27)21-19-17-15-13-11-12-14-16-18-20-22-28-31(9,10)24(2,3)4/h17,19,21H,11-16,18,20,22H2,1-10H3/b19-17+,23-21-.

What are the key properties of tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane?

tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane has a molecular weight of 450.59 g/mol, XLogP of 8.26, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(10E,12E)-13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tetradeca-10,12-dienoxy]silane is sourced from PubChem (CID 154711819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).