tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate

C20H34O4Si — CID 102254910

IUPACtert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate
SMILESCC(C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)(O)c1ccccc1
InChIInChI=1S/C20H34O4Si/c1-18(2,3)23-17(21)16(24-25(8,9)19(4,5)6)20(7,22)15-13-11-10-12-14-15/h10-14,16,22H,1-9H3
InChIKeyRKMYEAUJADCREV-UHFFFAOYSA-N
MW366.57 g/mol
LogP4.63
Rot. Bonds5

About tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate

tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate (PubChem CID 102254910) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate.

Molecular Properties

Compound Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate
PubChem CID102254910
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate
SMILESCC(C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)(O)c1ccccc1
InChIInChI=1S/C20H34O4Si/c1-18(2,3)23-17(21)16(24-25(8,9)19(4,5)6)20(7,22)15-13-11-10-12-14-15/h10-14,16,22H,1-9H3
InChIKeyRKMYEAUJADCREV-UHFFFAOYSA-N
XLogP4.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate 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 diphenylglycolate
CID 96261
Ethyl 3-hydroxy-3-phenylbutanoate
CID 220801
ethyl (2R,3S)-3-[3-[(1S,2R)-3-ethoxy-1,2-dihydroxy-3-oxopropyl]phenyl]-2,3-dihydroxypropanoate
CID 24762028
2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid
CID 9881947
2-Hydroxy-3-methoxy-2-phenylpropanoic acid
CID 15078575
(S)-2-Hydroxy-3-methoxy-3,3-diphenylpropionic Acid
CID 15380898
Propan-2-yl 3-(4-fluorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propanoate
CID 53383611
Ethyl 2-hydroxy-2-phenylbutanoate
CID 11160080
Methyl (2R,3S)-(+)-2,3-dihydroxy-3-phenylpropionate
CID 9920630
Acetic acid, 2-(o-tolyl)-2-(triethylsiloxy)-, ethyl ester
CID 43989
Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester
CID 55437
Acetic acid, 2-(o-tolyl)-2-(triisobutylsiloxy)-, ethyl ester
CID 55441

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate?
The IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate (CID 102254910) is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate.
What is the SMILES notation for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate?
The canonical SMILES for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate is CC(C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)(O)c1ccccc1.
What is the InChIKey of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate?
The InChIKey is RKMYEAUJADCREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-18(2,3)23-17(21)16(24-25(8,9)19(4,5)6)20(7,22)15-13-11-10-12-14-15/h10-14,16,22H,1-9H3.
What are the key properties of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate?
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate has a molecular weight of 366.57 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-phenylbutanoate is sourced from PubChem (CID 102254910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).