[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate

C16H28O3Si — CID 134978040

IUPAC[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate
SMILESCC(=O)OC/C=C/C#CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-15(17)18-13-11-9-7-8-10-12-14-19-20(5,6)16(2,3)4/h9,11H,10,12-14H2,1-6H3/b11-9+
InChIKeyOVPFNFDBVGNZAL-PKNBQFBNSA-N
MW296.48 g/mol
LogP3.91
Rot. Bonds6

About [(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate

[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate (PubChem CID 134978040) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is [(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate.

Molecular Properties

Compound Name[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate
PubChem CID134978040
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate
SMILESCC(=O)OC/C=C/C#CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-15(17)18-13-11-9-7-8-10-12-14-19-20(5,6)16(2,3)4/h9,11H,10,12-14H2,1-6H3/b11-9+
InChIKeyOVPFNFDBVGNZAL-PKNBQFBNSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.91
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate?
The IUPAC name of [(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate (CID 134978040) is [(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate.
What is the SMILES notation for [(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate?
The canonical SMILES for [(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate is CC(=O)OC/C=C/C#CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate?
The InChIKey is OVPFNFDBVGNZAL-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-15(17)18-13-11-9-7-8-10-12-14-19-20(5,6)16(2,3)4/h9,11H,10,12-14H2,1-6H3/b11-9+.
What are the key properties of [(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate?
[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate has a molecular weight of 296.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate is sourced from PubChem (CID 134978040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).