[3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate

C16H24O3Si — CID 102019933

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate
SMILESC=Cc1c(OC(C)=O)cccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H24O3Si/c1-8-13-14(18-12(2)17)10-9-11-15(13)19-20(6,7)16(3,4)5/h8-11H,1H2,2-7H3
InChIKeyUYRYQJPRKCFVGR-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.64
Rot. Bonds4

About [3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate

[3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate (PubChem CID 102019933) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate
PubChem CID102019933
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate
SMILESC=Cc1c(OC(C)=O)cccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H24O3Si/c1-8-13-14(18-12(2)17)10-9-11-15(13)19-20(6,7)16(3,4)5/h8-11H,1H2,2-7H3
InChIKeyUYRYQJPRKCFVGR-UHFFFAOYSA-N
XLogP4.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate (CID 102019933) is [3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate is C=Cc1c(OC(C)=O)cccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate?
The InChIKey is UYRYQJPRKCFVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-8-13-14(18-12(2)17)10-9-11-15(13)19-20(6,7)16(3,4)5/h8-11H,1H2,2-7H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate?
[3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate has a molecular weight of 292.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate is sourced from PubChem (CID 102019933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).