ethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate

C13H24O3Si — CID 11623018

IUPACethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C\[C@H]1O[C@@H]1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-7-15-11(14)9-8-10-12(16-10)17(5,6)13(2,3)4/h8-10,12H,7H2,1-6H3/b9-8-/t10-,12-/m1/s1
InChIKeyTWWFHEQGERCQLA-CHSRKAPTSA-N
MW256.42 g/mol
LogP2.92
Rot. Bonds4

About ethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate

ethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate (PubChem CID 11623018) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is ethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate
PubChem CID11623018
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nameethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C\[C@H]1O[C@@H]1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-7-15-11(14)9-8-10-12(16-10)17(5,6)13(2,3)4/h8-10,12H,7H2,1-6H3/b9-8-/t10-,12-/m1/s1
InChIKeyTWWFHEQGERCQLA-CHSRKAPTSA-N
XLogP2.92
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate (CID 11623018) is ethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate is CCOC(=O)/C=C\[C@H]1O[C@@H]1[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate?
The InChIKey is TWWFHEQGERCQLA-CHSRKAPTSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-7-15-11(14)9-8-10-12(16-10)17(5,6)13(2,3)4/h8-10,12H,7H2,1-6H3/b9-8-/t10-,12-/m1/s1.
What are the key properties of ethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate?
ethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate has a molecular weight of 256.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enoate is sourced from PubChem (CID 11623018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).