[tert-butyl(dimethyl)silyl] 2-phenylacetate

C14H22O2Si — CID 528591

IUPAC[tert-butyl(dimethyl)silyl] 2-phenylacetate
SMILESCC(C)(C)[Si](C)(C)OC(=O)Cc1ccccc1
InChIInChI=1S/C14H22O2Si/c1-14(2,3)17(4,5)16-13(15)11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyLISQZGMJTHVNMI-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.78
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] 2-phenylacetate

[tert-butyl(dimethyl)silyl] 2-phenylacetate (PubChem CID 528591) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-phenylacetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-phenylacetate
PubChem CID528591
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name[tert-butyl(dimethyl)silyl] 2-phenylacetate
SMILESCC(C)(C)[Si](C)(C)OC(=O)Cc1ccccc1
InChIInChI=1S/C14H22O2Si/c1-14(2,3)17(4,5)16-13(15)11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyLISQZGMJTHVNMI-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.78
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

[tert-butyl(dimethyl)silyl] 2-anilinoacetate
CID 69047191
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-one
CID 101209372
tris(2-phenylacetyl) ethane-1,1,1-tricarboxylate
CID 173141327
bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
CID 630744
[tert-butyl(dimethyl)silyl] 2-(3-acetyloxy-4-methoxyphenyl)acetate
CID 91737540
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-methylamino]-3-phenylpropanoate
CID 91753830
bis(2-phenylacetyl) 2-chloro-2-methylpropanedioate
CID 173141166
trimethylsilyl 2-[(2-phenylacetyl)amino]acetate
CID 523699
CID 172801156
CID 172801156
[tert-butyl(dimethyl)silyl] furan-2-carboxylate
CID 580774
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
[tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 174911876

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-phenylacetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-phenylacetate (CID 528591) is [tert-butyl(dimethyl)silyl] 2-phenylacetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-phenylacetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-phenylacetate is CC(C)(C)[Si](C)(C)OC(=O)Cc1ccccc1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-phenylacetate?
The InChIKey is LISQZGMJTHVNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-14(2,3)17(4,5)16-13(15)11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-phenylacetate?
[tert-butyl(dimethyl)silyl] 2-phenylacetate has a molecular weight of 250.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-phenylacetate is sourced from PubChem (CID 528591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).