[4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate

C28H30O3Si — CID 102427831

IUPAC[4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate
SMILESC=Cc1cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C=C)c1OC(C)=O
InChIInChI=1S/C28H30O3Si/c1-7-22-19-24(20-23(8-2)27(22)30-21(3)29)31-32(28(4,5)6,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h7-20H,1-2H2,3-6H3
InChIKeyFSUISLFQXGLJLM-UHFFFAOYSA-N
MW442.63 g/mol
LogP5.84
Rot. Bonds7

About [4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate

[4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate (PubChem CID 102427831) has the molecular formula C28H30O3Si and a molecular weight of 442.63 g/mol. Its IUPAC name is [4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate.

Molecular Properties

Compound Name[4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate
PubChem CID102427831
Molecular FormulaC28H30O3Si
Molecular Weight442.63 g/mol
Exact Mass442.20
IUPAC Name[4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate
SMILESC=Cc1cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C=C)c1OC(C)=O
InChIInChI=1S/C28H30O3Si/c1-7-22-19-24(20-23(8-2)27(22)30-21(3)29)31-32(28(4,5)6,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h7-20H,1-2H2,3-6H3
InChIKeyFSUISLFQXGLJLM-UHFFFAOYSA-N
XLogP5.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.63
LogP ≤ 55.84
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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Related Compounds

[4-tert-butyl-2,6-bis(ethenyl)phenyl] acetate
CID 102427830
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255
(2-tert-butyl-6-ethenylphenyl) acetate
CID 10704049
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybenzamide
CID 177114927
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
benzene;(2-ethenylphenyl) acetate
CID 175577038
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-oxobut-2-enoic acid
CID 174721555
methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
CID 14645565
N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide
CID 18536143
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
(3-ethenyl-4,5-dimethylphenyl) acetate
CID 18976594

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate?
The IUPAC name of [4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate (CID 102427831) is [4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate.
What is the SMILES notation for [4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate?
The canonical SMILES for [4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate is C=Cc1cc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C=C)c1OC(C)=O.
What is the InChIKey of [4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate?
The InChIKey is FSUISLFQXGLJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O3Si/c1-7-22-19-24(20-23(8-2)27(22)30-21(3)29)31-32(28(4,5)6,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h7-20H,1-2H2,3-6H3.
What are the key properties of [4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate?
[4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate has a molecular weight of 442.63 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate is sourced from PubChem (CID 102427831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).