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

C11H24O4Si — CID 14584148

IUPACmethyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
SMILESCOC(=O)C[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O4Si/c1-11(2,3)16(5,6)15-8-9(12)7-10(13)14-4/h9,12H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyPAFIBNMOPGGYFM-VIFPVBQESA-N
MW248.39 g/mol
LogP1.93
Rot. Bonds5

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

methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate (PubChem CID 14584148) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
PubChem CID14584148
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Namemethyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
SMILESCOC(=O)C[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O4Si/c1-11(2,3)16(5,6)15-8-9(12)7-10(13)14-4/h9,12H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyPAFIBNMOPGGYFM-VIFPVBQESA-N
XLogP1.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl (S)-(-)-4-(tert-butyldimethylsilyloxy)-2-hydroxybutanoate
CID 16217854
Methyl 4-((tert-butyldimethylsilyl)oxy)-2-hydroxybutanoate
CID 4430418
(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 10911032
(R)-3-(tert-Butyldimethylsilyloxy)butanoic acid
CID 11096091
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 14584147
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 24823711
3,4-Bis-[(tms)oxy]butanoic acid
CID 87627564
3-Hydroxybutyric acid, mono-TBDMS # 1
CID 91752586
Bis(trimethylsilyl) 2-hydroxybutanedioate
CID 14048536
methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate
CID 10732282
(3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid
CID 11346442
(R)-Methyl 4-((tert-butyldimethylsilyl)oxy)-2-hydroxybutanoate
CID 56833481

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The IUPAC name of methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate (CID 14584148) is methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate.
What is the SMILES notation for methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The canonical SMILES for methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate is COC(=O)C[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The InChIKey is PAFIBNMOPGGYFM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24O4Si/c1-11(2,3)16(5,6)15-8-9(12)7-10(13)14-4/h9,12H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate has a molecular weight of 248.39 g/mol, XLogP of 1.93, 5 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(dimethyl)silyl]oxy-3-hydroxybutanoate is sourced from PubChem (CID 14584148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).