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

C12H26O4Si — CID 91485174

IUPACethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
SMILESCCOC(=O)[C@@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O4Si/c1-8-15-11(14)10(13)9(2)16-17(6,7)12(3,4)5/h9-10,13H,8H2,1-7H3/t9-,10+/m1/s1
InChIKeySIDRLBFQDONFJT-ZJUUUORDSA-N
MW262.42 g/mol
LogP2.32
Rot. Bonds5

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

ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate (PubChem CID 91485174) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate.

Molecular Properties

Compound Nameethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
PubChem CID91485174
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Nameethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
SMILESCCOC(=O)[C@@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O4Si/c1-8-15-11(14)10(13)9(2)16-17(6,7)12(3,4)5/h9-10,13H,8H2,1-7H3/t9-,10+/m1/s1
InChIKeySIDRLBFQDONFJT-ZJUUUORDSA-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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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate?
The IUPAC name of ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate (CID 91485174) is ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate.
What is the SMILES notation for ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate?
The canonical SMILES for ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate is CCOC(=O)[C@@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate?
The InChIKey is SIDRLBFQDONFJT-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-8-15-11(14)10(13)9(2)16-17(6,7)12(3,4)5/h9-10,13H,8H2,1-7H3/t9-,10+/m1/s1.
What are the key properties of ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate?
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-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,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate is sourced from PubChem (CID 91485174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).