[(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate

C13H24O3Si — CID 100961254

IUPAC[(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate
SMILESCC(=O)O/C=C\C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-12(14)15-10-8-7-9-11-16-17(5,6)13(2,3)4/h7-10H,11H2,1-6H3/b9-7+,10-8-
InChIKeyZPVLLCBUSTXGOX-ZWOQCJTASA-N
MW256.42 g/mol
LogP3.64
Rot. Bonds5

About [(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate

[(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate (PubChem CID 100961254) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is [(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate.

Molecular Properties

Compound Name[(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate
PubChem CID100961254
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name[(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate
SMILESCC(=O)O/C=C\C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-12(14)15-10-8-7-9-11-16-17(5,6)13(2,3)4/h7-10H,11H2,1-6H3/b9-7+,10-8-
InChIKeyZPVLLCBUSTXGOX-ZWOQCJTASA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate?
The IUPAC name of [(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate (CID 100961254) is [(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate.
What is the SMILES notation for [(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate?
The canonical SMILES for [(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate is CC(=O)O/C=C\C=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate?
The InChIKey is ZPVLLCBUSTXGOX-ZWOQCJTASA-N. The full InChI is InChI=1S/C13H24O3Si/c1-12(14)15-10-8-7-9-11-16-17(5,6)13(2,3)4/h7-10H,11H2,1-6H3/b9-7+,10-8-.
What are the key properties of [(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate?
[(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate has a molecular weight of 256.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate is sourced from PubChem (CID 100961254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).