[(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate

C25H50O3Si — CID 11487142

About [(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate

[(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate (PubChem CID 11487142) has the molecular formula C25H50O3Si and a molecular weight of 426.76 g/mol. Its IUPAC name is [(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate
• PubChem CID: 11487142
• Molecular Formula: C25H50O3Si
• Molecular Weight: 426.76 g/mol
• Exact Mass: 426.35
• IUPAC Name: [(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate
• SMILES: C/C(=C\[C@H](C)CCOC(=O)C(C)(C)C)C[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H50O3Si/c1-19(13-14-27-23(26)24(5,6)7)15-20(2)16-21(3)17-22(4)18-28-29(11,12)25(8,9)10/h15,19,21-22H,13-14,16-18H2,1-12H3/b20-15+/t19-,21-,22-/m1/s1
• InChIKey: FJFIFUZXPBGKCR-KEJYZEFESA-N
• XLogP: 7.62
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.76
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 [(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate?

The IUPAC name of [(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate (CID 11487142) is [(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate?

The canonical SMILES for [(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate is C/C(=C\[C@H](C)CCOC(=O)C(C)(C)C)C[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate?

The InChIKey is FJFIFUZXPBGKCR-KEJYZEFESA-N. The full InChI is InChI=1S/C25H50O3Si/c1-19(13-14-27-23(26)24(5,6)7)15-20(2)16-21(3)17-22(4)18-28-29(11,12)25(8,9)10/h15,19,21-22H,13-14,16-18H2,1-12H3/b20-15+/t19-,21-,22-/m1/s1.

What are the key properties of [(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate?

[(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate has a molecular weight of 426.76 g/mol, XLogP of 7.62, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11487142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).