methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate

C12H22O4Si — CID 101267813

IUPACmethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate
SMILESC=C[C@H]1O[C@]1(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C12H22O4Si/c1-8-9-12(15-9,10(13)14-5)16-17(6,7)11(2,3)4/h8-9H,1H2,2-7H3/t9-,12-/m1/s1
InChIKeyKQJKUUNWAOZHQF-BXKDBHETSA-N
MW258.39 g/mol
LogP2.46
Rot. Bonds4

About methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate

methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate (PubChem CID 101267813) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate
PubChem CID101267813
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Namemethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate
SMILESC=C[C@H]1O[C@]1(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C12H22O4Si/c1-8-9-12(15-9,10(13)14-5)16-17(6,7)11(2,3)4/h8-9H,1H2,2-7H3/t9-,12-/m1/s1
InChIKeyKQJKUUNWAOZHQF-BXKDBHETSA-N
XLogP2.46
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(dimethyl)silyl] (4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 13846564
methyl 2-[(2S)-but-3-en-2-yl]oxy-3-[tert-butyl(dimethyl)silyl]oxybut-3-enoate
CID 15350846
methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate
CID 101476820

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate?
The IUPAC name of methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate (CID 101267813) is methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate.
What is the SMILES notation for methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate?
The canonical SMILES for methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate is C=C[C@H]1O[C@]1(O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate?
The InChIKey is KQJKUUNWAOZHQF-BXKDBHETSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-8-9-12(15-9,10(13)14-5)16-17(6,7)11(2,3)4/h8-9H,1H2,2-7H3/t9-,12-/m1/s1.
What are the key properties of methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate?
methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate has a molecular weight of 258.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate is sourced from PubChem (CID 101267813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).