2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde

C19H38O3Si — CID 177269497

About 2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde

2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde (PubChem CID 177269497) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is 2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde.

Molecular Properties

• Compound Name: 2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde
• PubChem CID: 177269497
• Molecular Formula: C19H38O3Si
• Molecular Weight: 342.60 g/mol
• Exact Mass: 342.26
• IUPAC Name: 2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde
• SMILES: CCCCC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[C@H]1CC=O
• InChI: InChI=1S/C19H38O3Si/c1-8-9-10-11-18(19-17(21-19)12-13-20)22-23(14(2)3,15(4)5)16(6)7/h13-19H,8-12H2,1-7H3/t17-,18-,19+/m0/s1
• InChIKey: OGBDKTPGSHQKKY-GBESFXJTSA-N
• XLogP: 5.48
• TPSA: 38.83 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	342.60
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde?

The IUPAC name of 2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde (CID 177269497) is 2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde.

What is the SMILES notation for 2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde?

The canonical SMILES for 2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde is CCCCC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[C@H]1CC=O.

What is the InChIKey of 2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde?

The InChIKey is OGBDKTPGSHQKKY-GBESFXJTSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-8-9-10-11-18(19-17(21-19)12-13-20)22-23(14(2)3,15(4)5)16(6)7/h13-19H,8-12H2,1-7H3/t17-,18-,19+/m0/s1.

What are the key properties of 2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde?

2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde has a molecular weight of 342.60 g/mol, XLogP of 5.48, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxiran-2-yl]acetaldehyde is sourced from PubChem (CID 177269497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).