ethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate

C12H24O4Si — CID 11311521

IUPACethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate
SMILESCCOC(=O)[C@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-7-14-11(13)10-9(16-10)8-15-17(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKeyBDQYKUBKNPKEDD-ZJUUUORDSA-N
MW260.41 g/mol
LogP2.34
Rot. Bonds5

About ethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate

ethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate (PubChem CID 11311521) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is ethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate
PubChem CID11311521
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Nameethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate
SMILESCCOC(=O)[C@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-7-14-11(13)10-9(16-10)8-15-17(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKeyBDQYKUBKNPKEDD-ZJUUUORDSA-N
XLogP2.34
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 2-[(trimethylsilyl)oxy]succinate
CID 552624
methyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate
CID 10105987
dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
CID 11762344
(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
CID 13841080
methyl (4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 14414632
1-Ethyl 4-(trimethylsilyl) 2-((trimethylsilyl)oxy)succinate
CID 91696650
Diethyl tartrate, bis(trimethylsilyl)-
CID 551975
Dimethyl (S)-2-[(tert-Butyldimethylsilyl)oxy]succinate
CID 22214952
Diethyl 2-trimethylsilyloxybutanedioate
CID 88550777
(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
CID 11356378
diethyl (2R,3R)-2,3-bis(trimethylsilyloxy)butanedioate
CID 11450967
dimethyl (2S)-2-tri(propan-2-yl)silyloxybutanedioate
CID 24746056

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate?
The IUPAC name of ethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate (CID 11311521) is ethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate.
What is the SMILES notation for ethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate?
The canonical SMILES for ethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate is CCOC(=O)[C@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate?
The InChIKey is BDQYKUBKNPKEDD-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-7-14-11(13)10-9(16-10)8-15-17(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10+/m1/s1.
What are the key properties of ethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate?
ethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate has a molecular weight of 260.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 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]oxymethyl]oxirane-2-carboxylate is sourced from PubChem (CID 11311521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).