methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate

C21H28O4Si — CID 11749095

IUPACmethyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
SMILESCOC(=O)C[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O4Si/c1-21(2,3)26(18-11-7-5-8-12-18,19-13-9-6-10-14-19)25-16-17(22)15-20(23)24-4/h5-14,17,22H,15-16H2,1-4H3/t17-/m0/s1
InChIKeyIYARNAWKJBPAJQ-KRWDZBQOSA-N
MW372.54 g/mol
LogP2.49
Rot. Bonds7

About methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate

methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate (PubChem CID 11749095) has the molecular formula C21H28O4Si and a molecular weight of 372.54 g/mol. Its IUPAC name is methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
PubChem CID11749095
Molecular FormulaC21H28O4Si
Molecular Weight372.54 g/mol
Exact Mass372.18
IUPAC Namemethyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
SMILESCOC(=O)C[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O4Si/c1-21(2,3)26(18-11-7-5-8-12-18,19-13-9-6-10-14-19)25-16-17(22)15-20(23)24-4/h5-14,17,22H,15-16H2,1-4H3/t17-/m0/s1
InChIKeyIYARNAWKJBPAJQ-KRWDZBQOSA-N
XLogP2.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate 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 (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
methyl (3S,4S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-iodohexanoate
CID 10816311
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate
CID 10256822
methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
CID 11303215
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one
CID 11037048
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate
CID 11649711
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate?
The IUPAC name of methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate (CID 11749095) is methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate.
What is the SMILES notation for methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate?
The canonical SMILES for methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate is COC(=O)C[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate?
The InChIKey is IYARNAWKJBPAJQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28O4Si/c1-21(2,3)26(18-11-7-5-8-12-18,19-13-9-6-10-14-19)25-16-17(22)15-20(23)24-4/h5-14,17,22H,15-16H2,1-4H3/t17-/m0/s1.
What are the key properties of methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate?
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate has a molecular weight of 372.54 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate is sourced from PubChem (CID 11749095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).