(E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal

C26H54O3Si2 — CID 102413098

About (E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal

(E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal (PubChem CID 102413098) has the molecular formula C26H54O3Si2 and a molecular weight of 470.89 g/mol. Its IUPAC name is (E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal.

Molecular Properties

• Compound Name: (E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal
• PubChem CID: 102413098
• Molecular Formula: C26H54O3Si2
• Molecular Weight: 470.89 g/mol
• Exact Mass: 470.36
• IUPAC Name: (E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal
• SMILES: C/C=C(\C)C[C@H](C)[C@H](O[Si](CC)(CC)CC)[C@@H](C)[C@H](O[Si](CC)(CC)CC)[C@H](C)C=O
• InChI: InChI=1S/C26H54O3Si2/c1-12-21(8)19-22(9)25(28-30(13-2,14-3)15-4)24(11)26(23(10)20-27)29-31(16-5,17-6)18-7/h12,20,22-26H,13-19H2,1-11H3/b21-12+/t22-,23+,24+,25-,26+/m0/s1
• InChIKey: YAFCSHPKVNBIEV-FCXXSKHESA-N
• XLogP: 8.23
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 17
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.89
LogP ≤ 5	8.23
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'}

Frequently Asked Questions

What is the IUPAC name of (E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal?

The IUPAC name of (E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal (CID 102413098) is (E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal.

What is the SMILES notation for (E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal?

The canonical SMILES for (E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal is C/C=C(\C)C[C@H](C)[C@H](O[Si](CC)(CC)CC)[C@@H](C)[C@H](O[Si](CC)(CC)CC)[C@H](C)C=O.

What is the InChIKey of (E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal?

The InChIKey is YAFCSHPKVNBIEV-FCXXSKHESA-N. The full InChI is InChI=1S/C26H54O3Si2/c1-12-21(8)19-22(9)25(28-30(13-2,14-3)15-4)24(11)26(23(10)20-27)29-31(16-5,17-6)18-7/h12,20,22-26H,13-19H2,1-11H3/b21-12+/t22-,23+,24+,25-,26+/m0/s1.

What are the key properties of (E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal?

(E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal has a molecular weight of 470.89 g/mol, XLogP of 8.23, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E,2S,3S,4R,5S,6S)-2,4,6,8-tetramethyl-3,5-bis(triethylsilyloxy)dec-8-enal is sourced from PubChem (CID 102413098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).