methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate

C26H30O3Si — CID 11742789

IUPACmethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H30O3Si/c1-26(2,3)30(22-16-10-6-11-17-22,23-18-12-7-13-19-23)29-24(25(27)28-4)20-21-14-8-5-9-15-21/h5-19,24H,20H2,1-4H3/t24-/m0/s1
InChIKeyPJPYIVJYZGDQIW-DEOSSOPVSA-N
MW418.61 g/mol
LogP4.35
Rot. Bonds7

About methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate

methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate (PubChem CID 11742789) has the molecular formula C26H30O3Si and a molecular weight of 418.61 g/mol. Its IUPAC name is methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate
PubChem CID11742789
Molecular FormulaC26H30O3Si
Molecular Weight418.61 g/mol
Exact Mass418.20
IUPAC Namemethyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H30O3Si/c1-26(2,3)30(22-16-10-6-11-17-22,23-18-12-7-13-19-23)29-24(25(27)28-4)20-21-14-8-5-9-15-21/h5-19,24H,20H2,1-4H3/t24-/m0/s1
InChIKeyPJPYIVJYZGDQIW-DEOSSOPVSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate 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

methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxyhexadecanoate
CID 91533261
dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate
CID 102212939
dibenzyl (2S)-2-[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxo-4-phenylmethoxybutanoyl]oxybutanedioate
CID 10509327
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 140818496
tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane
CID 134831581
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 66637053
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
methyl (2S,3S,4S)-2-benzyl-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-(phenylmethoxymethoxy)pentanoate
CID 11082622
(1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate
CID 139962469

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate (CID 11742789) is methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate?
The InChIKey is PJPYIVJYZGDQIW-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H30O3Si/c1-26(2,3)30(22-16-10-6-11-17-22,23-18-12-7-13-19-23)29-24(25(27)28-4)20-21-14-8-5-9-15-21/h5-19,24H,20H2,1-4H3/t24-/m0/s1.
What are the key properties of methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate?
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate has a molecular weight of 418.61 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate is sourced from PubChem (CID 11742789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).