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

C20H40O4Si — CID 134951460

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

1-[(2R,5S,6R)-5-methoxy-5-methyl-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone (PubChem CID 134951460) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is 1-[(2R,5S,6R)-5-methoxy-5-methyl-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2R,5S,6R)-5-methoxy-5-methyl-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone
• PubChem CID: 134951460
• Molecular Formula: C20H40O4Si
• Molecular Weight: 372.62 g/mol
• Exact Mass: 372.27
• IUPAC Name: 1-[(2R,5S,6R)-5-methoxy-5-methyl-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone
• SMILES: CO[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/C20H40O4Si/c1-14(2)25(15(3)4,16(5)6)23-13-11-19-20(8,22-9)12-10-18(24-19)17(7)21/h14-16,18-19H,10-13H2,1-9H3/t18-,19-,20+/m1/s1
• InChIKey: MNXJECKBQJFFPU-AQNXPRMDSA-N
• XLogP: 5.11
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.62
LogP ≤ 5	5.11
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,5S,6R)-5-methoxy-5-methyl-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone?

The IUPAC name of 1-[(2R,5S,6R)-5-methoxy-5-methyl-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone (CID 134951460) is 1-[(2R,5S,6R)-5-methoxy-5-methyl-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone.

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

The canonical SMILES for 1-[(2R,5S,6R)-5-methoxy-5-methyl-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone is CO[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,5S,6R)-5-methoxy-5-methyl-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone?

The InChIKey is MNXJECKBQJFFPU-AQNXPRMDSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-14(2)25(15(3)4,16(5)6)23-13-11-19-20(8,22-9)12-10-18(24-19)17(7)21/h14-16,18-19H,10-13H2,1-9H3/t18-,19-,20+/m1/s1.

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

1-[(2R,5S,6R)-5-methoxy-5-methyl-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone has a molecular weight of 372.62 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,5S,6R)-5-methoxy-5-methyl-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone is sourced from PubChem (CID 134951460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).