ethyl 2-(4-trimethylsilylphenyl)acetate

C13H20O2Si — CID 125466611

IUPACethyl 2-(4-trimethylsilylphenyl)acetate
SMILESCCOC(=O)Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C13H20O2Si/c1-5-15-13(14)10-11-6-8-12(9-7-11)16(2,3)4/h6-9H,5,10H2,1-4H3
InChIKeyHZHHUHIAHMOLGP-UHFFFAOYSA-N
MW236.39 g/mol
LogP2.34
Rot. Bonds4

About ethyl 2-(4-trimethylsilylphenyl)acetate

ethyl 2-(4-trimethylsilylphenyl)acetate (PubChem CID 125466611) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is ethyl 2-(4-trimethylsilylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-trimethylsilylphenyl)acetate
PubChem CID125466611
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-(4-trimethylsilylphenyl)acetate
SMILESCCOC(=O)Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C13H20O2Si/c1-5-15-13(14)10-11-6-8-12(9-7-11)16(2,3)4/h6-9H,5,10H2,1-4H3
InChIKeyHZHHUHIAHMOLGP-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
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ethyl 2-(4-isocyanophenyl)acetate
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ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
4-(2-ethoxy-2-oxoethyl)benzenesulfinate
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CID 58447889
CID 58447889
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326
ethyl 2-[4-(diaminomethylideneamino)phenyl]acetate
CID 119087282
ethyl 2-[4-[(1R)-1-aminoethyl]phenyl]acetate;hydrochloride
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ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-trimethylsilylphenyl)acetate?
The IUPAC name of ethyl 2-(4-trimethylsilylphenyl)acetate (CID 125466611) is ethyl 2-(4-trimethylsilylphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-trimethylsilylphenyl)acetate?
The canonical SMILES for ethyl 2-(4-trimethylsilylphenyl)acetate is CCOC(=O)Cc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of ethyl 2-(4-trimethylsilylphenyl)acetate?
The InChIKey is HZHHUHIAHMOLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-5-15-13(14)10-11-6-8-12(9-7-11)16(2,3)4/h6-9H,5,10H2,1-4H3.
What are the key properties of ethyl 2-(4-trimethylsilylphenyl)acetate?
ethyl 2-(4-trimethylsilylphenyl)acetate has a molecular weight of 236.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-trimethylsilylphenyl)acetate is sourced from PubChem (CID 125466611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).