ethylsilyl 2-phenylacetate

C10H14O2Si — CID 154128233

IUPACethylsilyl 2-phenylacetate
SMILESCC[SiH2]OC(=O)Cc1ccccc1
InChIInChI=1S/C10H14O2Si/c1-2-13-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8,13H2,1H3
InChIKeyBESGZONOPBLOEL-UHFFFAOYSA-N
MW194.31 g/mol
LogP1.29
Rot. Bonds4

About ethylsilyl 2-phenylacetate

ethylsilyl 2-phenylacetate (PubChem CID 154128233) has the molecular formula C10H14O2Si and a molecular weight of 194.31 g/mol. Its IUPAC name is ethylsilyl 2-phenylacetate.

Molecular Properties

Compound Nameethylsilyl 2-phenylacetate
PubChem CID154128233
Molecular FormulaC10H14O2Si
Molecular Weight194.31 g/mol
Exact Mass194.08
IUPAC Nameethylsilyl 2-phenylacetate
SMILESCC[SiH2]OC(=O)Cc1ccccc1
InChIInChI=1S/C10H14O2Si/c1-2-13-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8,13H2,1H3
InChIKeyBESGZONOPBLOEL-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.31
LogP ≤ 51.29
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

methylsilyl 2-phenylacetate
CID 148919799
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
ethyl 2-phenylacetate
CID 7590
(2-phenylacetyl) propanoate
CID 91029268
ethyl 2-phenylacetate;hydrate
CID 141257001
CID 172801156
CID 172801156
(2-phenylacetyl) butanoate
CID 54432060
CID 66773581
CID 66773581
1-ethoxyethenyl 2-phenylacetate
CID 11264222
CID 174393592
CID 174393592
carbon dioxide;methyl 2-phenylacetate
CID 159198536
acetic acid;phenyl 2-phenylethaneperoxoate
CID 87374705

Frequently Asked Questions

What is the IUPAC name of ethylsilyl 2-phenylacetate?
The IUPAC name of ethylsilyl 2-phenylacetate (CID 154128233) is ethylsilyl 2-phenylacetate.
What is the SMILES notation for ethylsilyl 2-phenylacetate?
The canonical SMILES for ethylsilyl 2-phenylacetate is CC[SiH2]OC(=O)Cc1ccccc1.
What is the InChIKey of ethylsilyl 2-phenylacetate?
The InChIKey is BESGZONOPBLOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2Si/c1-2-13-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8,13H2,1H3.
What are the key properties of ethylsilyl 2-phenylacetate?
ethylsilyl 2-phenylacetate has a molecular weight of 194.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsilyl 2-phenylacetate is sourced from PubChem (CID 154128233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).