[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate

C12H24O3Si — CID 11322519

IUPAC[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate
SMILESCC(=O)OC/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-11(13)14-9-7-8-10-15-16(5,6)12(2,3)4/h7-8H,9-10H2,1-6H3/b8-7+
InChIKeyQOKSTPAXPRLTHJ-BQYQJAHWSA-N
MW244.41 g/mol
LogP3.13
Rot. Bonds5

About [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate

[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate (PubChem CID 11322519) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate
PubChem CID11322519
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate
SMILESCC(=O)OC/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-11(13)14-9-7-8-10-15-16(5,6)12(2,3)4/h7-8H,9-10H2,1-6H3/b8-7+
InChIKeyQOKSTPAXPRLTHJ-BQYQJAHWSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate?
The IUPAC name of [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate (CID 11322519) is [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate.
What is the SMILES notation for [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate?
The canonical SMILES for [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate is CC(=O)OC/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate?
The InChIKey is QOKSTPAXPRLTHJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-11(13)14-9-7-8-10-15-16(5,6)12(2,3)4/h7-8H,9-10H2,1-6H3/b8-7+.
What are the key properties of [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate?
[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate has a molecular weight of 244.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate is sourced from PubChem (CID 11322519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).