(4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one

C26H52O5Si2 — CID 11156312

About (4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one

(4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one (PubChem CID 11156312) has the molecular formula C26H52O5Si2 and a molecular weight of 500.87 g/mol. Its IUPAC name is (4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one.

Molecular Properties

• Compound Name: (4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one
• PubChem CID: 11156312
• Molecular Formula: C26H52O5Si2
• Molecular Weight: 500.87 g/mol
• Exact Mass: 500.34
• IUPAC Name: (4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one
• SMILES: CO[C@H]1CC(=O)O[C@@H]([C@@H](/C=C(\C)CO[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)C1
• InChI: InChI=1S/C26H52O5Si2/c1-18(2)33(19(3)4,20(5)6)31-24(23-15-22(28-11)16-25(27)30-23)14-21(7)17-29-32(12,13)26(8,9)10/h14,18-20,22-24H,15-17H2,1-13H3/b21-14+/t22-,23-,24-/m1/s1
• InChIKey: PIYLPYMOQSJRGZ-GJEOPNOGSA-N
• XLogP: 7.24
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.87
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one?

The IUPAC name of (4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one (CID 11156312) is (4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one.

What is the SMILES notation for (4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one?

The canonical SMILES for (4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one is CO[C@H]1CC(=O)O[C@@H]([C@@H](/C=C(\C)CO[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)C1.

What is the InChIKey of (4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one?

The InChIKey is PIYLPYMOQSJRGZ-GJEOPNOGSA-N. The full InChI is InChI=1S/C26H52O5Si2/c1-18(2)33(19(3)4,20(5)6)31-24(23-15-22(28-11)16-25(27)30-23)14-21(7)17-29-32(12,13)26(8,9)10/h14,18-20,22-24H,15-17H2,1-13H3/b21-14+/t22-,23-,24-/m1/s1.

What are the key properties of (4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one?

(4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one has a molecular weight of 500.87 g/mol, XLogP of 7.24, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,6R)-6-[(E,1R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-tri(propan-2-yl)silyloxybut-2-enyl]-4-methoxyoxan-2-one is sourced from PubChem (CID 11156312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).