methylsilyl 2-phenylacetate

C9H12O2Si — CID 148919799

IUPACmethylsilyl 2-phenylacetate
SMILESC[SiH2]OC(=O)Cc1ccccc1
InChIInChI=1S/C9H12O2Si/c1-12-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7,12H2,1H3
InChIKeyZDJJKFMMXBQNCX-UHFFFAOYSA-N
MW180.28 g/mol
LogP0.90
Rot. Bonds3

About methylsilyl 2-phenylacetate

methylsilyl 2-phenylacetate (PubChem CID 148919799) has the molecular formula C9H12O2Si and a molecular weight of 180.28 g/mol. Its IUPAC name is methylsilyl 2-phenylacetate.

Molecular Properties

Compound Namemethylsilyl 2-phenylacetate
PubChem CID148919799
Molecular FormulaC9H12O2Si
Molecular Weight180.28 g/mol
Exact Mass180.06
IUPAC Namemethylsilyl 2-phenylacetate
SMILESC[SiH2]OC(=O)Cc1ccccc1
InChIInChI=1S/C9H12O2Si/c1-12-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7,12H2,1H3
InChIKeyZDJJKFMMXBQNCX-UHFFFAOYSA-N
XLogP0.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 50.90
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

ethylsilyl 2-phenylacetate
CID 154128233
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
acetic acid;phenyl 2-phenylethaneperoxoate
CID 87374705
CID 172801156
CID 172801156
ethyl 2-phenylacetate
CID 7590
phenyl 2-phenylacetate;zinc
CID 70522084
(2-phenylacetyl) propanoate
CID 91029268
CID 174393592
CID 174393592
ethyl 2-phenylacetate;hydrate
CID 141257001
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717
carbon dioxide;methyl 2-phenylacetate
CID 159198536
acetyloxymethyl 2-phenylacetate
CID 121486345

Frequently Asked Questions

What is the IUPAC name of methylsilyl 2-phenylacetate?
The IUPAC name of methylsilyl 2-phenylacetate (CID 148919799) is methylsilyl 2-phenylacetate.
What is the SMILES notation for methylsilyl 2-phenylacetate?
The canonical SMILES for methylsilyl 2-phenylacetate is C[SiH2]OC(=O)Cc1ccccc1.
What is the InChIKey of methylsilyl 2-phenylacetate?
The InChIKey is ZDJJKFMMXBQNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2Si/c1-12-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7,12H2,1H3.
What are the key properties of methylsilyl 2-phenylacetate?
methylsilyl 2-phenylacetate has a molecular weight of 180.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsilyl 2-phenylacetate is sourced from PubChem (CID 148919799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).