2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde

C25H48O3Si — CID 16742608

About 2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde

2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde (PubChem CID 16742608) has the molecular formula C25H48O3Si and a molecular weight of 424.74 g/mol. Its IUPAC name is 2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde.

Molecular Properties

• Compound Name: 2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde
• PubChem CID: 16742608
• Molecular Formula: C25H48O3Si
• Molecular Weight: 424.74 g/mol
• Exact Mass: 424.34
• IUPAC Name: 2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde
• SMILES: CC(C)C/C=C/[C@H](C[C@@H]1CC[C@H](C)[C@@H](CC=O)O1)O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C25H48O3Si/c1-18(2)11-10-12-24(28-29(19(3)4,20(5)6)21(7)8)17-23-14-13-22(9)25(27-23)15-16-26/h10,12,16,18-25H,11,13-15,17H2,1-9H3/b12-10+/t22-,23-,24+,25+/m0/s1
• InChIKey: AJMUDFDNNZTRCX-ATIWNUJBSA-N
• XLogP: 7.31
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.74
LogP ≤ 5	7.31
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 2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde?

The IUPAC name of 2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde (CID 16742608) is 2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde.

What is the SMILES notation for 2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde?

The canonical SMILES for 2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde is CC(C)C/C=C/[C@H](C[C@@H]1CC[C@H](C)[C@@H](CC=O)O1)O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of 2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde?

The InChIKey is AJMUDFDNNZTRCX-ATIWNUJBSA-N. The full InChI is InChI=1S/C25H48O3Si/c1-18(2)11-10-12-24(28-29(19(3)4,20(5)6)21(7)8)17-23-14-13-22(9)25(27-23)15-16-26/h10,12,16,18-25H,11,13-15,17H2,1-9H3/b12-10+/t22-,23-,24+,25+/m0/s1.

What are the key properties of 2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde?

2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde has a molecular weight of 424.74 g/mol, XLogP of 7.31, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,3S,6S)-3-methyl-6-[(E,2S)-6-methyl-2-tri(propan-2-yl)silyloxyhept-3-enyl]oxan-2-yl]acetaldehyde is sourced from PubChem (CID 16742608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).