(E,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal

C24H44O5Si2 — CID 134832154

About (E,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal

(E,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal (PubChem CID 134832154) has the molecular formula C24H44O5Si2 and a molecular weight of 468.78 g/mol. Its IUPAC name is (E,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal.

Molecular Properties

• Compound Name: (E,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal
• PubChem CID: 134832154
• Molecular Formula: C24H44O5Si2
• Molecular Weight: 468.78 g/mol
• Exact Mass: 468.27
• IUPAC Name: (E,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal
• SMILES: CC[Si](CC)(CC)O[C@H](CC=O)[C@@](C)(/C=C/C1CC=CC(=O)O1)O[Si](CC)(CC)CC
• InChI: InChI=1S/C24H44O5Si2/c1-8-30(9-2,10-3)28-22(18-20-25)24(7,29-31(11-4,12-5)13-6)19-17-21-15-14-16-23(26)27-21/h14,16-17,19-22H,8-13,15,18H2,1-7H3/b19-17+/t21?,22-,24-/m1/s1
• InChIKey: JIBQOFLQHUQTMR-LKARBFKKSA-N
• XLogP: 6.17
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.78
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal?

The IUPAC name of (E,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal (CID 134832154) is (E,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal.

What is the SMILES notation for (E,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal?

The canonical SMILES for (E,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal is CC[Si](CC)(CC)O[C@H](CC=O)[C@@](C)(/C=C/C1CC=CC(=O)O1)O[Si](CC)(CC)CC.

What is the InChIKey of (E,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal?

The InChIKey is JIBQOFLQHUQTMR-LKARBFKKSA-N. The full InChI is InChI=1S/C24H44O5Si2/c1-8-30(9-2,10-3)28-22(18-20-25)24(7,29-31(11-4,12-5)13-6)19-17-21-15-14-16-23(26)27-21/h14,16-17,19-22H,8-13,15,18H2,1-7H3/b19-17+/t21?,22-,24-/m1/s1.

What are the key properties of (E,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal?

(E,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal has a molecular weight of 468.78 g/mol, XLogP of 6.17, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E,3R,4R)-4-methyl-6-(6-oxo-2,3-dihydropyran-2-yl)-3,4-bis(triethylsilyloxy)hex-5-enal is sourced from PubChem (CID 134832154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).