ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate

C54H106O14Si5 — CID 160528411

About ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate

ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate (PubChem CID 160528411) has the molecular formula C54H106O14Si5 and a molecular weight of 1119.86 g/mol. Its IUPAC name is ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
• PubChem CID: 160528411
• Molecular Formula: C54H106O14Si5
• Molecular Weight: 1119.86 g/mol
• Exact Mass: 1118.64
• IUPAC Name: ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
• SMILES: CCOC(=O)C[C@H]1CC[C@@H]2O[C@@H](C(/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1.CCOC(=O)C[C@H]1CC[C@@H]2O[C@@H]([C@@H](O)/C=C/[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2O1
• InChI: InChI=1S/C36H74O7Si4.C18H32O7Si/c1-20-38-29(37)25-26-21-22-27-30(39-26)32(42-46(16,17)35(5,6)7)33(43-47(18,19)36(8,9)10)31(40-27)28(23-24-44(11,12)13)41-45(14,15)34(2,3)4;1-5-23-14(20)10-11-6-7-13-18(24-11)16(22)15(21)17(25-13)12(19)8-9-26(2,3)4/h23-24,26-28,30-33H,20-22,25H2,1-19H3;8-9,11-13,15-19,21-22H,5-7,10H2,1-4H3/b24-23+;9-8+/t26-,27+,28?,30+,31+,32+,33?;11-,12+,13+,15+,16-,17+,18+/m11/s1
• InChIKey: QVFCRHYQLQVDQW-DDXIFAQSSA-N
• XLogP: 10.63
• TPSA: 177.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1119.86
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?

The IUPAC name of ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate (CID 160528411) is ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate.

What is the SMILES notation for ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?

The canonical SMILES for ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate is CCOC(=O)C[C@H]1CC[C@@H]2O[C@@H](C(/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1.CCOC(=O)C[C@H]1CC[C@@H]2O[C@@H]([C@@H](O)/C=C/[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]2O1.

What is the InChIKey of ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?

The InChIKey is QVFCRHYQLQVDQW-DDXIFAQSSA-N. The full InChI is InChI=1S/C36H74O7Si4.C18H32O7Si/c1-20-38-29(37)25-26-21-22-27-30(39-26)32(42-46(16,17)35(5,6)7)33(43-47(18,19)36(8,9)10)31(40-27)28(23-24-44(11,12)13)41-45(14,15)34(2,3)4;1-5-23-14(20)10-11-6-7-13-18(24-11)16(22)15(21)17(25-13)12(19)8-9-26(2,3)4/h23-24,26-28,30-33H,20-22,25H2,1-19H3;8-9,11-13,15-19,21-22H,5-7,10H2,1-4H3/b24-23+;9-8+/t26-,27+,28?,30+,31+,32+,33?;11-,12+,13+,15+,16-,17+,18+/m11/s1.

What are the key properties of ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?

ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate has a molecular weight of 1119.86 g/mol, XLogP of 10.63, 18 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[(2S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate;ethyl 2-[(2S,3S,4R,4aR,6R,8aS)-3,4-dihydroxy-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate is sourced from PubChem (CID 160528411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).