ethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate

C18H34O4Si — CID 11175287

IUPACethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@H]1O[C@H]1[C@@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-9-20-17(19)14(3)12-15-16(22-15)13(2)10-11-21-23(7,8)18(4,5)6/h12-13,15-16H,9-11H2,1-8H3/b14-12+/t13-,15+,16-/m0/s1
InChIKeyFMULJVGDXXDQOT-VBQNLHHZSA-N
MW342.55 g/mol
LogP4.31
Rot. Bonds8

About ethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate

ethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate (PubChem CID 11175287) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is ethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate
PubChem CID11175287
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Nameethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@H]1O[C@H]1[C@@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-9-20-17(19)14(3)12-15-16(22-15)13(2)10-11-21-23(7,8)18(4,5)6/h12-13,15-16H,9-11H2,1-8H3/b14-12+/t13-,15+,16-/m0/s1
InChIKeyFMULJVGDXXDQOT-VBQNLHHZSA-N
XLogP4.31
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate?
The IUPAC name of ethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate (CID 11175287) is ethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate is CCOC(=O)/C(C)=C/[C@H]1O[C@H]1[C@@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate?
The InChIKey is FMULJVGDXXDQOT-VBQNLHHZSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-9-20-17(19)14(3)12-15-16(22-15)13(2)10-11-21-23(7,8)18(4,5)6/h12-13,15-16H,9-11H2,1-8H3/b14-12+/t13-,15+,16-/m0/s1.
What are the key properties of ethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate?
ethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate has a molecular weight of 342.55 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(2R,3S)-3-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]-2-methylprop-2-enoate is sourced from PubChem (CID 11175287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).