(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal

C21H38O2Si — CID 24886641

About (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal

(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal (PubChem CID 24886641) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal.

Molecular Properties

• Compound Name: (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal
• PubChem CID: 24886641
• Molecular Formula: C21H38O2Si
• Molecular Weight: 350.62 g/mol
• Exact Mass: 350.26
• IUPAC Name: (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal
• SMILES: C=C/C=C(\C)C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)C=O
• InChI: InChI=1S/C21H38O2Si/c1-11-12-16(2)13-18(4)20(19(5)14-17(3)15-22)23-24(9,10)21(6,7)8/h11-12,14-15,18-20H,1,13H2,2-10H3/b16-12+,17-14+/t18-,19+,20-/m0/s1
• InChIKey: LHKLMCXCVWRULT-VTSATSCQSA-N
• XLogP: 6.32
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	350.62
LogP ≤ 5	6.32
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal?

The IUPAC name of (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal (CID 24886641) is (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal.

What is the SMILES notation for (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal?

The canonical SMILES for (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal is C=C/C=C(\C)C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)C=O.

What is the InChIKey of (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal?

The InChIKey is LHKLMCXCVWRULT-VTSATSCQSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-11-12-16(2)13-18(4)20(19(5)14-17(3)15-22)23-24(9,10)21(6,7)8/h11-12,14-15,18-20H,1,13H2,2-10H3/b16-12+,17-14+/t18-,19+,20-/m0/s1.

What are the key properties of (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal?

(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal has a molecular weight of 350.62 g/mol, XLogP of 6.32, 9 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-2,4,6,8-tetramethylundeca-2,8,10-trienal is sourced from PubChem (CID 24886641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).