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

C14H30O4Si — CID 24741474

IUPACtert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-10(18-19(8,9)14(5,6)7)11(15)12(16)17-13(2,3)4/h10-11,15H,1-9H3/t10-,11-/m1/s1
InChIKeyLUQRZFTWXBKOGW-GHMZBOCLSA-N
MW290.48 g/mol
LogP3.10
Rot. Bonds4

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

tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate (PubChem CID 24741474) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
PubChem CID24741474
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Nametert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-10(18-19(8,9)14(5,6)7)11(15)12(16)17-13(2,3)4/h10-11,15H,1-9H3/t10-,11-/m1/s1
InChIKeyLUQRZFTWXBKOGW-GHMZBOCLSA-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

3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
(3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 101390740
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate
CID 162715349
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide
CID 141326729
[(2S,3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]azanium
CID 7009962
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
tert-butyl 4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-4-methylpiperidine-1-carboxylate
CID 156751745
ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate
CID 100985601
tert-butyl N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[[(2S)-2-hydroxypropyl]amino]-1-oxobutan-2-yl]carbamate
CID 11079679

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate?
The IUPAC name of tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate (CID 24741474) is tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate.
What is the SMILES notation for tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate?
The canonical SMILES for tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate?
The InChIKey is LUQRZFTWXBKOGW-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-10(18-19(8,9)14(5,6)7)11(15)12(16)17-13(2,3)4/h10-11,15H,1-9H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate?
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-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 (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate is sourced from PubChem (CID 24741474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).