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

C14H30O4Si — CID 24741475

IUPACtert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
SMILESC[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-10(15)11(12(16)17-13(2,3)4)18-19(8,9)14(5,6)7/h10-11,15H,1-9H3/t10-,11-/m0/s1
InChIKeyCVYHVUHXAUABGT-QWRGUYRKSA-N
MW290.48 g/mol
LogP3.10
Rot. Bonds4

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

tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate (PubChem CID 24741475) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
PubChem CID24741475
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Nametert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
SMILESC[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-10(15)11(12(16)17-13(2,3)4)18-19(8,9)14(5,6)7/h10-11,15H,1-9H3/t10-,11-/m0/s1
InChIKeyCVYHVUHXAUABGT-QWRGUYRKSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.10
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
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
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate
CID 73042975
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 75104437
2-(Trimethylsilyl)ethyl 2,3-dihydroxypropanoate
CID 86063696
ethyl (2S,3R)-2-hydroxy-3-tri(propan-2-yl)silyloxybutanoate
CID 101061536

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The IUPAC name of tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate (CID 24741475) is tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate.
What is the SMILES notation for tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The canonical SMILES for tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate is C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
The InChIKey is CVYHVUHXAUABGT-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-10(15)11(12(16)17-13(2,3)4)18-19(8,9)14(5,6)7/h10-11,15H,1-9H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate?
tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate has a molecular weight of 290.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate is sourced from PubChem (CID 24741475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).