ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate

C13H20O3Si — CID 11075965

IUPACethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate
SMILESCCOC(=O)C[Si](C)(C)c1ccc(OC)cc1
InChIInChI=1S/C13H20O3Si/c1-5-16-13(14)10-17(3,4)12-8-6-11(15-2)7-9-12/h6-9H,5,10H2,1-4H3
InChIKeyBCSIXMSUINERGK-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.17
Rot. Bonds5

About ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate

ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate (PubChem CID 11075965) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate
PubChem CID11075965
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Nameethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate
SMILESCCOC(=O)C[Si](C)(C)c1ccc(OC)cc1
InChIInChI=1S/C13H20O3Si/c1-5-16-13(14)10-17(3,4)12-8-6-11(15-2)7-9-12/h6-9H,5,10H2,1-4H3
InChIKeyBCSIXMSUINERGK-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-[(4-methoxyphenyl)-dimethylsilyl]ethanol
CID 11052925
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
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CID 175225578
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CID 70545359
ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
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CID 90417413

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate?
The IUPAC name of ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate (CID 11075965) is ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate.
What is the SMILES notation for ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate?
The canonical SMILES for ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate is CCOC(=O)C[Si](C)(C)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate?
The InChIKey is BCSIXMSUINERGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-5-16-13(14)10-17(3,4)12-8-6-11(15-2)7-9-12/h6-9H,5,10H2,1-4H3.
What are the key properties of ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate?
ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate has a molecular weight of 252.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate is sourced from PubChem (CID 11075965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).