tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate

C32H66O5Si3 — CID 101369340

About tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate

tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate (PubChem CID 101369340) has the molecular formula C32H66O5Si3 and a molecular weight of 615.13 g/mol. Its IUPAC name is tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate.

Molecular Properties

• Compound Name: tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate
• PubChem CID: 101369340
• Molecular Formula: C32H66O5Si3
• Molecular Weight: 615.13 g/mol
• Exact Mass: 614.42
• IUPAC Name: tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate
• SMILES: CCC(CC/C(=C\C(=C/C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C32H66O5Si3/c1-20-25(35-38(14,15)30(5,6)7)21-22-26(36-39(16,17)31(8,9)10)23-27(24-28(33)34-29(2,3)4)37-40(18,19)32(11,12)13/h23-25H,20-22H2,1-19H3/b26-23+,27-24+
• InChIKey: UVHIYGNTXSRZQE-LSBUKLHESA-N
• XLogP: 10.72
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.13
LogP ≤ 5	10.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate?

The IUPAC name of tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate (CID 101369340) is tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate.

What is the SMILES notation for tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate?

The canonical SMILES for tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate is CCC(CC/C(=C\C(=C/C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate?

The InChIKey is UVHIYGNTXSRZQE-LSBUKLHESA-N. The full InChI is InChI=1S/C32H66O5Si3/c1-20-25(35-38(14,15)30(5,6)7)21-22-26(36-39(16,17)31(8,9)10)23-27(24-28(33)34-29(2,3)4)37-40(18,19)32(11,12)13/h23-25H,20-22H2,1-19H3/b26-23+,27-24+.

What are the key properties of tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate?

tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate has a molecular weight of 615.13 g/mol, XLogP of 10.72, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate is sourced from PubChem (CID 101369340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).