[(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate

C26H52O6Si — CID 10323232

About [(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate

[(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate (PubChem CID 10323232) has the molecular formula C26H52O6Si and a molecular weight of 488.78 g/mol. Its IUPAC name is [(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate
• PubChem CID: 10323232
• Molecular Formula: C26H52O6Si
• Molecular Weight: 488.78 g/mol
• Exact Mass: 488.35
• IUPAC Name: [(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate
• SMILES: C[C@@H](CCOC(=O)C(C)(C)C)CCC(O)C[C@H]1OC(C)(C)OC[C@@H]1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H52O6Si/c1-19(14-15-29-23(28)24(2,3)4)12-13-21(27)16-22-20(17-30-26(8,9)32-22)18-31-33(10,11)25(5,6)7/h19-22,27H,12-18H2,1-11H3/t19-,20-,21?,22-/m1/s1
• InChIKey: OKJUDHQSLSHBIA-LKCXNPEXSA-N
• XLogP: 5.92
• TPSA: 74.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.78
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate?

The IUPAC name of [(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate (CID 10323232) is [(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate?

The canonical SMILES for [(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate is C[C@@H](CCOC(=O)C(C)(C)C)CCC(O)C[C@H]1OC(C)(C)OC[C@@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate?

The InChIKey is OKJUDHQSLSHBIA-LKCXNPEXSA-N. The full InChI is InChI=1S/C26H52O6Si/c1-19(14-15-29-23(28)24(2,3)4)12-13-21(27)16-22-20(17-30-26(8,9)32-22)18-31-33(10,11)25(5,6)7/h19-22,27H,12-18H2,1-11H3/t19-,20-,21?,22-/m1/s1.

What are the key properties of [(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate?

[(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate has a molecular weight of 488.78 g/mol, XLogP of 5.92, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-hydroxy-3-methylheptyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10323232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).