[3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate

C24H30O6Si — CID 168876017

IUPAC[3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate
SMILESCC[Si](CC)(CC)Oc1ccc(OC(C)=O)cc1C=Cc1c(O)cccc1OC(C)=O
InChIInChI=1S/C24H30O6Si/c1-6-31(7-2,8-3)30-23-15-13-20(28-17(4)25)16-19(23)12-14-21-22(27)10-9-11-24(21)29-18(5)26/h9-16,27H,6-8H2,1-5H3
InChIKeySNIJJOCXFIRGHT-UHFFFAOYSA-N
MW442.58 g/mol
LogP5.80
Rot. Bonds9

About [3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate

[3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate (PubChem CID 168876017) has the molecular formula C24H30O6Si and a molecular weight of 442.58 g/mol. Its IUPAC name is [3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate.

Molecular Properties

Compound Name[3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate
PubChem CID168876017
Molecular FormulaC24H30O6Si
Molecular Weight442.58 g/mol
Exact Mass442.18
IUPAC Name[3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate
SMILESCC[Si](CC)(CC)Oc1ccc(OC(C)=O)cc1C=Cc1c(O)cccc1OC(C)=O
InChIInChI=1S/C24H30O6Si/c1-6-31(7-2,8-3)30-23-15-13-20(28-17(4)25)16-19(23)12-14-21-22(27)10-9-11-24(21)29-18(5)26/h9-16,27H,6-8H2,1-5H3
InChIKeySNIJJOCXFIRGHT-UHFFFAOYSA-N
XLogP5.80
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate?
The IUPAC name of [3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate (CID 168876017) is [3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate.
What is the SMILES notation for [3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate?
The canonical SMILES for [3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate is CC[Si](CC)(CC)Oc1ccc(OC(C)=O)cc1C=Cc1c(O)cccc1OC(C)=O.
What is the InChIKey of [3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate?
The InChIKey is SNIJJOCXFIRGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6Si/c1-6-31(7-2,8-3)30-23-15-13-20(28-17(4)25)16-19(23)12-14-21-22(27)10-9-11-24(21)29-18(5)26/h9-16,27H,6-8H2,1-5H3.
What are the key properties of [3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate?
[3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate has a molecular weight of 442.58 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-acetyloxy-6-hydroxyphenyl)ethenyl]-4-triethylsilyloxyphenyl] acetate is sourced from PubChem (CID 168876017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).