tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C54H73NO8Si — CID 25022929

About tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 25022929) has the molecular formula C54H73NO8Si and a molecular weight of 892.26 g/mol. Its IUPAC name is tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• PubChem CID: 25022929
• Molecular Formula: C54H73NO8Si
• Molecular Weight: 892.26 g/mol
• Exact Mass: 891.51
• IUPAC Name: tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• SMILES: C=C(COC(C)=O)CC(/C=C/C[C@H]1CC(=C)C[C@@H](/C=C(\C)C[C@@H]2OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1)OCc1ccccc1
• InChI: InChI=1S/C54H73NO8Si/c1-39-31-45(26-22-25-44(34-41(3)36-58-42(4)56)59-37-43-23-16-13-17-24-43)61-46(32-39)33-40(2)35-50-49(55(54(11,12)62-50)51(57)63-52(5,6)7)38-60-64(53(8,9)10,47-27-18-14-19-28-47)48-29-20-15-21-30-48/h13-25,27-30,33,44-46,49-50H,1,3,26,31-32,34-38H2,2,4-12H3/b25-22+,40-33+/t44?,45-,46-,49-,50-/m0/s1
• InChIKey: DNYWEGUZYAYQEK-FYOOWINASA-N
• XLogP: 10.78
• TPSA: 92.76 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.26
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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 tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 25022929) is tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=C(COC(C)=O)CC(/C=C/C[C@H]1CC(=C)C[C@@H](/C=C(\C)C[C@@H]2OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1)OCc1ccccc1.

What is the InChIKey of tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The InChIKey is DNYWEGUZYAYQEK-FYOOWINASA-N. The full InChI is InChI=1S/C54H73NO8Si/c1-39-31-45(26-22-25-44(34-41(3)36-58-42(4)56)59-37-43-23-16-13-17-24-43)61-46(32-39)33-40(2)35-50-49(55(54(11,12)62-50)51(57)63-52(5,6)7)38-60-64(53(8,9)10,47-27-18-14-19-28-47)48-29-20-15-21-30-48/h13-25,27-30,33,44-46,49-50H,1,3,26,31-32,34-38H2,2,4-12H3/b25-22+,40-33+/t44?,45-,46-,49-,50-/m0/s1.

What are the key properties of tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 892.26 g/mol, XLogP of 10.78, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4S,5S)-5-[(E)-3-[(2S,6S)-6-[(2E)-6-(acetyloxymethyl)-4-phenylmethoxyhepta-2,6-dienyl]-4-methylideneoxan-2-yl]-2-methylprop-2-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 25022929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).