tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane

C28H52O3Si — CID 11059656

About tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane

tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane (PubChem CID 11059656) has the molecular formula C28H52O3Si and a molecular weight of 464.81 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane
• PubChem CID: 11059656
• Molecular Formula: C28H52O3Si
• Molecular Weight: 464.81 g/mol
• Exact Mass: 464.37
• IUPAC Name: tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane
• SMILES: C/C(=C\CC/C(C)=C/COC1CCCCO1)C/C=C/C(C)CCCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H52O3Si/c1-24(15-12-17-26(3)20-23-30-27-19-9-10-21-29-27)14-11-16-25(2)18-13-22-31-32(7,8)28(4,5)6/h11,15-16,20,25,27H,9-10,12-14,17-19,21-23H2,1-8H3/b16-11+,24-15+,26-20+
• InChIKey: COFLYNYFJRNXAH-KWSLSBKQSA-N
• XLogP: 8.59
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.81
LogP ≤ 5	8.59
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-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane (CID 11059656) is tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane is C/C(=C\CC/C(C)=C/COC1CCCCO1)C/C=C/C(C)CCCO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane?

The InChIKey is COFLYNYFJRNXAH-KWSLSBKQSA-N. The full InChI is InChI=1S/C28H52O3Si/c1-24(15-12-17-26(3)20-23-30-27-19-9-10-21-29-27)14-11-16-25(2)18-13-22-31-32(7,8)28(4,5)6/h11,15-16,20,25,27H,9-10,12-14,17-19,21-23H2,1-8H3/b16-11+,24-15+,26-20+.

What are the key properties of tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane?

tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane has a molecular weight of 464.81 g/mol, XLogP of 8.59, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(5E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-5,8,12-trienoxy]silane is sourced from PubChem (CID 11059656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).