[butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate

C14H22O3Si — CID 70086946

IUPAC[butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate
SMILESCCCC[Si](C)(C)OC(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C14H22O3Si/c1-4-5-11-18(2,3)17-14(16)13(15)12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3/t13-/m1/s1
InChIKeyXBXKIUCYPIBIDW-CYBMUJFWSA-N
MW266.41 g/mol
LogP3.27
Rot. Bonds6

About [butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate

[butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate (PubChem CID 70086946) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is [butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate
PubChem CID70086946
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name[butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate
SMILESCCCC[Si](C)(C)OC(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C14H22O3Si/c1-4-5-11-18(2,3)17-14(16)13(15)12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3/t13-/m1/s1
InChIKeyXBXKIUCYPIBIDW-CYBMUJFWSA-N
XLogP3.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-hydroxy-2-phenylacetate
CID 90673198
pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
2-[butyl(dimethyl)silyl]oxycarbonylbenzoic acid
CID 154000972
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
CID 123268996
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
[2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834240
[butyl(dimethyl)silyl] acetate
CID 22926546
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758

Frequently Asked Questions

What is the IUPAC name of [butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate?
The IUPAC name of [butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate (CID 70086946) is [butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate is CCCC[Si](C)(C)OC(=O)[C@H](O)c1ccccc1.
What is the InChIKey of [butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate?
The InChIKey is XBXKIUCYPIBIDW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-4-5-11-18(2,3)17-14(16)13(15)12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3/t13-/m1/s1.
What are the key properties of [butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate?
[butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate has a molecular weight of 266.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 70086946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).