benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate

C13H20O3Si — CID 174747331

IUPACbenzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate
SMILESCC(C)(O)C(C)([SiH3])C(=O)OCc1ccccc1
InChIInChI=1S/C13H20O3Si/c1-12(2,15)13(3,17)11(14)16-9-10-7-5-4-6-8-10/h4-8,15H,9H2,1-3,17H3
InChIKeyRRHCWRGZKRAQEZ-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.04
Rot. Bonds4

About benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate

benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate (PubChem CID 174747331) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate.

Molecular Properties

Compound Namebenzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate
PubChem CID174747331
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Namebenzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate
SMILESCC(C)(O)C(C)([SiH3])C(=O)OCc1ccccc1
InChIInChI=1S/C13H20O3Si/c1-12(2,15)13(3,17)11(14)16-9-10-7-5-4-6-8-10/h4-8,15H,9H2,1-3,17H3
InChIKeyRRHCWRGZKRAQEZ-UHFFFAOYSA-N
XLogP1.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-amino-2-hydroxypropanoate
CID 67630480
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
benzyl 2-amino-2-phenylpropanoate
CID 54322564
benzyl 2-tert-butyl-3,3-dimethylbutanoate
CID 130279218
benzyl (2S)-2-hydroxy-2-phenylbutanoate
CID 155930279
benzyl 4-amino-2,2-dimethyl-4-oxobutanoate
CID 66875161
benzyl 3-amino-2-iodo-2-methylpropanoate
CID 146339720
acetic acid;benzyl 2,2,2-trifluoroacetate
CID 157158802
(2S)-2-(dimethylamino)-2-methyl-3-oxo-3-phenylmethoxypropanoic acid
CID 67327544
benzyl 2-amino-2-methylpentanoate
CID 61276990
benzyl 3-fluoro-2,2-dimethylbutanoate
CID 135382582
benzyl (3S)-3-hydroxy-2,2-dimethyl-4-oxopentanoate
CID 135011617

Frequently Asked Questions

What is the IUPAC name of benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate?
The IUPAC name of benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate (CID 174747331) is benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate.
What is the SMILES notation for benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate?
The canonical SMILES for benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate is CC(C)(O)C(C)([SiH3])C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate?
The InChIKey is RRHCWRGZKRAQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-12(2,15)13(3,17)11(14)16-9-10-7-5-4-6-8-10/h4-8,15H,9H2,1-3,17H3.
What are the key properties of benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate?
benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate has a molecular weight of 252.39 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate is sourced from PubChem (CID 174747331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).