(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal

C19H35IO2Si — CID 11048633

About (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal

(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal (PubChem CID 11048633) has the molecular formula C19H35IO2Si and a molecular weight of 450.48 g/mol. Its IUPAC name is (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal.

Molecular Properties

• Compound Name: (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal
• PubChem CID: 11048633
• Molecular Formula: C19H35IO2Si
• Molecular Weight: 450.48 g/mol
• Exact Mass: 450.15
• IUPAC Name: (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal
• SMILES: C/C(C=O)=C\[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C/I
• InChI: InChI=1S/C19H35IO2Si/c1-14(12-20)10-16(3)18(17(4)11-15(2)13-21)22-23(8,9)19(5,6)7/h11-13,16-18H,10H2,1-9H3/b14-12+,15-11+/t16-,17+,18-/m0/s1
• InChIKey: HFECJUAWMJQIRU-AJUKUIFDSA-N
• XLogP: 6.52
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.48
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal?

The IUPAC name of (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal (CID 11048633) is (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal.

What is the SMILES notation for (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal?

The canonical SMILES for (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal is C/C(C=O)=C\[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C/I.

What is the InChIKey of (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal?

The InChIKey is HFECJUAWMJQIRU-AJUKUIFDSA-N. The full InChI is InChI=1S/C19H35IO2Si/c1-14(12-20)10-16(3)18(17(4)11-15(2)13-21)22-23(8,9)19(5,6)7/h11-13,16-18H,10H2,1-9H3/b14-12+,15-11+/t16-,17+,18-/m0/s1.

What are the key properties of (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal?

(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal has a molecular weight of 450.48 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal is sourced from PubChem (CID 11048633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).