methyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate

C15H28O4Si — CID 5368149

IUPACmethyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/C1OC1CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-11(19-20(6,7)15(2,3)4)10-13-12(18-13)8-9-14(16)17-5/h8-9,11-13H,10H2,1-7H3/b9-8+
InChIKeyWLFRPSNURHVJOB-CMDGGOBGSA-N
MW300.47 g/mol
LogP3.28
Rot. Bonds6

About methyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate

methyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate (PubChem CID 5368149) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is methyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate
PubChem CID5368149
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Namemethyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/C1OC1CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-11(19-20(6,7)15(2,3)4)10-13-12(18-13)8-9-14(16)17-5/h8-9,11-13H,10H2,1-7H3/b9-8+
InChIKeyWLFRPSNURHVJOB-CMDGGOBGSA-N
XLogP3.28
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.28
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 methyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate (CID 5368149) is methyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate is COC(=O)/C=C/C1OC1CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate?
The InChIKey is WLFRPSNURHVJOB-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-11(19-20(6,7)15(2,3)4)10-13-12(18-13)8-9-14(16)17-5/h8-9,11-13H,10H2,1-7H3/b9-8+.
What are the key properties of methyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate?
methyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate has a molecular weight of 300.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[3-[2-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]prop-2-enoate is sourced from PubChem (CID 5368149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).