ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate

C15H32O3Si — CID 102207719

IUPACethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate
SMILESCCOC(=O)[C@H](C)[C@H](C)[Si](O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-10-18-13(16)11(2)12(3)19(17,14(4,5)6)15(7,8)9/h11-12,17H,10H2,1-9H3/t11-,12+/m1/s1
InChIKeyUAPMOHDAZIYUAT-NEPJUHHUSA-N
MW288.50 g/mol
LogP4.11
Rot. Bonds4

About ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate

ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate (PubChem CID 102207719) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate.

Molecular Properties

Compound Nameethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate
PubChem CID102207719
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Nameethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate
SMILESCCOC(=O)[C@H](C)[C@H](C)[Si](O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-10-18-13(16)11(2)12(3)19(17,14(4,5)6)15(7,8)9/h11-12,17H,10H2,1-9H3/t11-,12+/m1/s1
InChIKeyUAPMOHDAZIYUAT-NEPJUHHUSA-N
XLogP4.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623
ethyl 2,3-dimethylpentanoate
CID 55255239
diethyl 2-ethyl-3-methylbutanedioate
CID 19419903
diethyl (2S,3S)-2-hydroxy-3-methylbutanedioate
CID 2192559
(3R)-4-ethoxy-2,3-dimethyl-4-oxobutanoic acid
CID 150582435
diethyl (2S,3R)-2-hydroxy-3-methylbutanedioate
CID 2192560
ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
ethyl (2R,3S)-3-hydroxy-2-methyl-4-oxopentanoate
CID 58991559
ethyl 3-hydroxy-2,4-dimethylpentanoate
CID 13235184
ethyl (2S,3S)-3-hydroxy-2-methylpentanoate
CID 11051949
ethyl (2R,3S)-3-hydroxy-2,4-dimethylpentanoate
CID 10965025

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate?
The IUPAC name of ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate (CID 102207719) is ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate.
What is the SMILES notation for ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate?
The canonical SMILES for ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate is CCOC(=O)[C@H](C)[C@H](C)[Si](O)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate?
The InChIKey is UAPMOHDAZIYUAT-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-10-18-13(16)11(2)12(3)19(17,14(4,5)6)15(7,8)9/h11-12,17H,10H2,1-9H3/t11-,12+/m1/s1.
What are the key properties of ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate?
ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate has a molecular weight of 288.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate is sourced from PubChem (CID 102207719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).