[4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate

C18H24O3SSi — CID 139913447

IUPAC[4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate
SMILESCC(=O)Oc1cc(C)c(OC[Si](C)(C)c2cccs2)c(C)c1C
InChIInChI=1S/C18H24O3SSi/c1-12-10-16(21-15(4)19)13(2)14(3)18(12)20-11-23(5,6)17-8-7-9-22-17/h7-10H,11H2,1-6H3
InChIKeyCABTUBCLWWFHAC-UHFFFAOYSA-N
MW348.54 g/mol
LogP4.13
Rot. Bonds5

About [4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate

[4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate (PubChem CID 139913447) has the molecular formula C18H24O3SSi and a molecular weight of 348.54 g/mol. Its IUPAC name is [4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate.

Molecular Properties

Compound Name[4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate
PubChem CID139913447
Molecular FormulaC18H24O3SSi
Molecular Weight348.54 g/mol
Exact Mass348.12
IUPAC Name[4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate
SMILESCC(=O)Oc1cc(C)c(OC[Si](C)(C)c2cccs2)c(C)c1C
InChIInChI=1S/C18H24O3SSi/c1-12-10-16(21-15(4)19)13(2)14(3)18(12)20-11-23(5,6)17-8-7-9-22-17/h7-10H,11H2,1-6H3
InChIKeyCABTUBCLWWFHAC-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate?
The IUPAC name of [4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate (CID 139913447) is [4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate.
What is the SMILES notation for [4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate?
The canonical SMILES for [4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate is CC(=O)Oc1cc(C)c(OC[Si](C)(C)c2cccs2)c(C)c1C.
What is the InChIKey of [4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate?
The InChIKey is CABTUBCLWWFHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3SSi/c1-12-10-16(21-15(4)19)13(2)14(3)18(12)20-11-23(5,6)17-8-7-9-22-17/h7-10H,11H2,1-6H3.
What are the key properties of [4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate?
[4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate has a molecular weight of 348.54 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[dimethyl(thiophen-2-yl)silyl]methoxy]-2,3,5-trimethylphenyl] acetate is sourced from PubChem (CID 139913447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).