(4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one

C55H112O10Si6 — CID 11332224

About (4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one

(4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one (PubChem CID 11332224) has the molecular formula C55H112O10Si6 and a molecular weight of 1102.01 g/mol. Its IUPAC name is (4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one.

Molecular Properties

• Compound Name: (4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one
• PubChem CID: 11332224
• Molecular Formula: C55H112O10Si6
• Molecular Weight: 1102.01 g/mol
• Exact Mass: 1100.69
• IUPAC Name: (4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one
• SMILES: CC1(C)O[C@@H](C[C@@H](/C=C2\C[C@H](C[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)O2)O[Si](C)(C)C(C)(C)C)C[C@@H](C[C@H](C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1
• InChI: InChI=1S/C55H112O10Si6/c1-50(2,3)67(21,22)57-40-48(65-71(29,30)54(13,14)15)39-47(64-70(27,28)53(10,11)12)38-45-36-44(60-55(16,17)61-45)37-46(63-69(25,26)52(7,8)9)35-43-34-42(58-49(56)59-43)33-41(31-32-66(18,19)20)62-68(23,24)51(4,5)6/h35,41-42,44-48H,33-34,36-40H2,1-30H3/b43-35+/t41-,42-,44+,45-,46+,47+,48+/m0/s1
• InChIKey: DPYXLHZHCHECSL-LNXFGHDASA-N
• XLogP: 16.73
• TPSA: 100.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1102.01
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one?

The IUPAC name of (4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one (CID 11332224) is (4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one.

What is the SMILES notation for (4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one?

The canonical SMILES for (4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one is CC1(C)O[C@@H](C[C@@H](/C=C2\C[C@H](C[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)O2)O[Si](C)(C)C(C)(C)C)C[C@@H](C[C@H](C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1.

What is the InChIKey of (4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one?

The InChIKey is DPYXLHZHCHECSL-LNXFGHDASA-N. The full InChI is InChI=1S/C55H112O10Si6/c1-50(2,3)67(21,22)57-40-48(65-71(29,30)54(13,14)15)39-47(64-70(27,28)53(10,11)12)38-45-36-44(60-55(16,17)61-45)37-46(63-69(25,26)52(7,8)9)35-43-34-42(58-49(56)59-43)33-41(31-32-66(18,19)20)62-68(23,24)51(4,5)6/h35,41-42,44-48H,33-34,36-40H2,1-30H3/b43-35+/t41-,42-,44+,45-,46+,47+,48+/m0/s1.

What are the key properties of (4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one?

(4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one has a molecular weight of 1102.01 g/mol, XLogP of 16.73, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4E,6S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-[(2R,4R)-2,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]pentyl]-1,3-dioxan-4-yl]propylidene]-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbut-3-ynyl]-1,3-dioxan-2-one is sourced from PubChem (CID 11332224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).