(2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal

C20H44O4Si2 — CID 11750070

About (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal

(2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal (PubChem CID 11750070) has the molecular formula C20H44O4Si2 and a molecular weight of 404.74 g/mol. Its IUPAC name is (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal.

Molecular Properties

• Compound Name: (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal
• PubChem CID: 11750070
• Molecular Formula: C20H44O4Si2
• Molecular Weight: 404.74 g/mol
• Exact Mass: 404.28
• IUPAC Name: (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal
• SMILES: CC[Si](CC)(CC)O[C@H](C[C@H](COC)O[Si](C)(C)C(C)(C)C)[C@H](C)C=O
• InChI: InChI=1S/C20H44O4Si2/c1-11-26(12-2,13-3)24-19(17(4)15-21)14-18(16-22-8)23-25(9,10)20(5,6)7/h15,17-19H,11-14,16H2,1-10H3/t17-,18-,19-/m1/s1
• InChIKey: LHCLWQUKBRWDKI-GUDVDZBRSA-N
• XLogP: 5.64
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.74
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal?

The IUPAC name of (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal (CID 11750070) is (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal.

What is the SMILES notation for (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal?

The canonical SMILES for (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal is CC[Si](CC)(CC)O[C@H](C[C@H](COC)O[Si](C)(C)C(C)(C)C)[C@H](C)C=O.

What is the InChIKey of (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal?

The InChIKey is LHCLWQUKBRWDKI-GUDVDZBRSA-N. The full InChI is InChI=1S/C20H44O4Si2/c1-11-26(12-2,13-3)24-19(17(4)15-21)14-18(16-22-8)23-25(9,10)20(5,6)7/h15,17-19H,11-14,16H2,1-10H3/t17-,18-,19-/m1/s1.

What are the key properties of (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal?

(2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal has a molecular weight of 404.74 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyl-3-triethylsilyloxyhexanal is sourced from PubChem (CID 11750070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).