[(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate

C26H36O3Si — CID 58918269

IUPAC[(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate
SMILESCC(=O)OCCCC/C=C/C(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36O3Si/c1-22(16-10-6-7-15-21-28-23(2)27)29-30(26(3,4)5,24-17-11-8-12-18-24)25-19-13-9-14-20-25/h8-14,16-20,22H,6-7,15,21H2,1-5H3/b16-10+
InChIKeyJTQVONXNLLMAJX-MHWRWJLKSA-N
MW424.66 g/mol
LogP5.24
Rot. Bonds10

About [(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate

[(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate (PubChem CID 58918269) has the molecular formula C26H36O3Si and a molecular weight of 424.66 g/mol. Its IUPAC name is [(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate.

Molecular Properties

Compound Name[(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate
PubChem CID58918269
Molecular FormulaC26H36O3Si
Molecular Weight424.66 g/mol
Exact Mass424.24
IUPAC Name[(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate
SMILESCC(=O)OCCCC/C=C/C(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36O3Si/c1-22(16-10-6-7-15-21-28-23(2)27)29-30(26(3,4)5,24-17-11-8-12-18-24)25-19-13-9-14-20-25/h8-14,16-20,22H,6-7,15,21H2,1-5H3/b16-10+
InChIKeyJTQVONXNLLMAJX-MHWRWJLKSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.66
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate?
The IUPAC name of [(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate (CID 58918269) is [(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate.
What is the SMILES notation for [(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate?
The canonical SMILES for [(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate is CC(=O)OCCCC/C=C/C(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate?
The InChIKey is JTQVONXNLLMAJX-MHWRWJLKSA-N. The full InChI is InChI=1S/C26H36O3Si/c1-22(16-10-6-7-15-21-28-23(2)27)29-30(26(3,4)5,24-17-11-8-12-18-24)25-19-13-9-14-20-25/h8-14,16-20,22H,6-7,15,21H2,1-5H3/b16-10+.
What are the key properties of [(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate?
[(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate has a molecular weight of 424.66 g/mol, XLogP of 5.24, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate is sourced from PubChem (CID 58918269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).