tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane

C48H90O9Si — CID 177391047

About tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane

tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane (PubChem CID 177391047) has the molecular formula C48H90O9Si and a molecular weight of 839.32 g/mol. Its IUPAC name is tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane.

Molecular Properties

• Compound Name: tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane
• PubChem CID: 177391047
• Molecular Formula: C48H90O9Si
• Molecular Weight: 839.32 g/mol
• Exact Mass: 838.64
• IUPAC Name: tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane
• SMILES: CC(C)[C@@H](O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C@H](C)/C=C/[C@@H]1C[C@H](C[C@H]2C[C@@H](C[C@H]3C[C@@H](C[C@@H]4OC(C)(C)OC[C@H]4C)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1
• InChI: InChI=1S/C48H90O9Si/c1-31(2)41(57-58(42(5,6)7,43(8,9)10)44(11,12)13)32(3)22-23-34-24-35(51-46(16,17)50-34)25-36-26-37(53-47(18,19)52-36)27-38-28-39(55-48(20,21)54-38)29-40-33(4)30-49-45(14,15)56-40/h22-23,31-41H,24-30H2,1-21H3/b23-22+/t32-,33-,34-,35-,36+,37+,38+,39+,40+,41-/m1/s1
• InChIKey: WJAJMKBDSGXWTB-NDAJQBHFSA-N
• XLogP: 12.25
• TPSA: 83.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.32
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane?

The IUPAC name of tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane (CID 177391047) is tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane.

What is the SMILES notation for tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane?

The canonical SMILES for tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane is CC(C)[C@@H](O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C@H](C)/C=C/[C@@H]1C[C@H](C[C@H]2C[C@@H](C[C@H]3C[C@@H](C[C@@H]4OC(C)(C)OC[C@H]4C)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1.

What is the InChIKey of tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane?

The InChIKey is WJAJMKBDSGXWTB-NDAJQBHFSA-N. The full InChI is InChI=1S/C48H90O9Si/c1-31(2)41(57-58(42(5,6)7,43(8,9)10)44(11,12)13)32(3)22-23-34-24-35(51-46(16,17)50-34)25-36-26-37(53-47(18,19)52-36)27-38-28-39(55-48(20,21)54-38)29-40-33(4)30-49-45(14,15)56-40/h22-23,31-41H,24-30H2,1-21H3/b23-22+/t32-,33-,34-,35-,36+,37+,38+,39+,40+,41-/m1/s1.

What are the key properties of tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane?

tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane has a molecular weight of 839.32 g/mol, XLogP of 12.25, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tritert-butyl-[(E,3R,4R)-6-[(4S,6S)-6-[[(4R,6S)-6-[[(4S,6S)-2,2-dimethyl-6-[[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4-dimethylhex-5-en-3-yl]oxysilane is sourced from PubChem (CID 177391047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).