1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone

C25H52O4Si2 — CID 135025581

About 1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone

1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone (PubChem CID 135025581) has the molecular formula C25H52O4Si2 and a molecular weight of 472.86 g/mol. Its IUPAC name is 1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone
• PubChem CID: 135025581
• Molecular Formula: C25H52O4Si2
• Molecular Weight: 472.86 g/mol
• Exact Mass: 472.34
• IUPAC Name: 1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone
• SMILES: CC[Si](CC)(CC)O[C@]1(C)CC[C@H](C(C)=O)O[C@@H]1CCO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C25H52O4Si2/c1-12-30(13-2,14-3)29-25(11)17-15-23(22(10)26)28-24(25)16-18-27-31(19(4)5,20(6)7)21(8)9/h19-21,23-24H,12-18H2,1-11H3/t23-,24-,25-/m1/s1
• InChIKey: SMHXPGCXYKKSFJ-UBFVSLLYSA-N
• XLogP: 7.49
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.86
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone?

The IUPAC name of 1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone (CID 135025581) is 1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone.

What is the SMILES notation for 1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone?

The canonical SMILES for 1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone is CC[Si](CC)(CC)O[C@]1(C)CC[C@H](C(C)=O)O[C@@H]1CCO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of 1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone?

The InChIKey is SMHXPGCXYKKSFJ-UBFVSLLYSA-N. The full InChI is InChI=1S/C25H52O4Si2/c1-12-30(13-2,14-3)29-25(11)17-15-23(22(10)26)28-24(25)16-18-27-31(19(4)5,20(6)7)21(8)9/h19-21,23-24H,12-18H2,1-11H3/t23-,24-,25-/m1/s1.

What are the key properties of 1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone?

1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone has a molecular weight of 472.86 g/mol, XLogP of 7.49, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone is sourced from PubChem (CID 135025581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).