(2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal

C23H42O3Si2 — CID 132607456

About (2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal

(2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal (PubChem CID 132607456) has the molecular formula C23H42O3Si2 and a molecular weight of 422.76 g/mol. Its IUPAC name is (2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal.

Molecular Properties

• Compound Name: (2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal
• PubChem CID: 132607456
• Molecular Formula: C23H42O3Si2
• Molecular Weight: 422.76 g/mol
• Exact Mass: 422.27
• IUPAC Name: (2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal
• SMILES: C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](/C=C/C=C/C=C/C=O)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C23H42O3Si2/c1-12-20(25-27(8,9)22(2,3)4)21(18-16-14-13-15-17-19-24)26-28(10,11)23(5,6)7/h12-21H,1H2,2-11H3/b14-13+,17-15+,18-16+/t20-,21-/m1/s1
• InChIKey: PEAOFPGEWFFVHK-YOBFUENISA-N
• XLogP: 6.82
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.76
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal?

The IUPAC name of (2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal (CID 132607456) is (2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal.

What is the SMILES notation for (2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal?

The canonical SMILES for (2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](/C=C/C=C/C=C/C=O)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal?

The InChIKey is PEAOFPGEWFFVHK-YOBFUENISA-N. The full InChI is InChI=1S/C23H42O3Si2/c1-12-20(25-27(8,9)22(2,3)4)21(18-16-14-13-15-17-19-24)26-28(10,11)23(5,6)7/h12-21H,1H2,2-11H3/b14-13+,17-15+,18-16+/t20-,21-/m1/s1.

What are the key properties of (2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal?

(2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal has a molecular weight of 422.76 g/mol, XLogP of 6.82, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal is sourced from PubChem (CID 132607456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).