ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate

C12H26O4Si — CID 58012759

IUPACethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
SMILESCCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C12H26O4Si/c1-8-15-11(14)10(9(2)13)16-17(6,7)12(3,4)5/h9-10,13H,8H2,1-7H3/t9-,10-/m0/s1
InChIKeyIQGDSKMLIXENKO-UWVGGRQHSA-N
MW262.42 g/mol
LogP2.32
Rot. Bonds5

About ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate

ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate (PubChem CID 58012759) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
PubChem CID58012759
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Nameethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
SMILESCCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C12H26O4Si/c1-8-15-11(14)10(9(2)13)16-17(6,7)12(3,4)5/h9-10,13H,8H2,1-7H3/t9-,10-/m0/s1
InChIKeyIQGDSKMLIXENKO-UWVGGRQHSA-N
XLogP2.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.32
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
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 14584147
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 24823711
(R)-3-(tert-butyl-dimethyl-silanyloxy)-2-hydroxy-propionic acid methyl ester
CID 45037054
methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate
CID 10732282
tert-butyl (2R,3R)-2,3-dihydroxybutanoate
CID 13215221
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 14584148
(R)-Methyl 4-((tert-butyldimethylsilyl)oxy)-2-hydroxybutanoate
CID 56833481
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 75104437
Ethyl 3-hydroxy-4-((triisopropylsilyl)oxy)butanoate
CID 85257417
2-(Trimethylsilyl)ethyl 2,3-dihydroxypropanoate
CID 86063696

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The IUPAC name of ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate (CID 58012759) is ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate.
What is the SMILES notation for ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The canonical SMILES for ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate is CCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O.
What is the InChIKey of ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The InChIKey is IQGDSKMLIXENKO-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-8-15-11(14)10(9(2)13)16-17(6,7)12(3,4)5/h9-10,13H,8H2,1-7H3/t9-,10-/m0/s1.
What are the key properties of ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate has a molecular weight of 262.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate is sourced from PubChem (CID 58012759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).