methyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate

C17H30O4Si — CID 25025432

IUPACmethyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate
SMILESC=C(C)C[C@]1([C@@H](/C=C/C(=O)OC)O[Si](CC)(CC)CC)CO1
InChIInChI=1S/C17H30O4Si/c1-7-22(8-2,9-3)21-15(10-11-16(18)19-6)17(13-20-17)12-14(4)5/h10-11,15H,4,7-9,12-13H2,1-3,5-6H3/b11-10+/t15-,17-/m1/s1
InChIKeyDTNCJLHSAPWJSV-GSSPJMICSA-N
MW326.51 g/mol
LogP3.84
Rot. Bonds10

About methyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate

methyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate (PubChem CID 25025432) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is methyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate.

Molecular Properties

Compound Namemethyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate
PubChem CID25025432
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Namemethyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate
SMILESC=C(C)C[C@]1([C@@H](/C=C/C(=O)OC)O[Si](CC)(CC)CC)CO1
InChIInChI=1S/C17H30O4Si/c1-7-22(8-2,9-3)21-15(10-11-16(18)19-6)17(13-20-17)12-14(4)5/h10-11,15H,4,7-9,12-13H2,1-3,5-6H3/b11-10+/t15-,17-/m1/s1
InChIKeyDTNCJLHSAPWJSV-GSSPJMICSA-N
XLogP3.84
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.84
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': '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,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate?
The IUPAC name of methyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate (CID 25025432) is methyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate.
What is the SMILES notation for methyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate?
The canonical SMILES for methyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate is C=C(C)C[C@]1([C@@H](/C=C/C(=O)OC)O[Si](CC)(CC)CC)CO1.
What is the InChIKey of methyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate?
The InChIKey is DTNCJLHSAPWJSV-GSSPJMICSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-7-22(8-2,9-3)21-15(10-11-16(18)19-6)17(13-20-17)12-14(4)5/h10-11,15H,4,7-9,12-13H2,1-3,5-6H3/b11-10+/t15-,17-/m1/s1.
What are the key properties of methyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate?
methyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate has a molecular weight of 326.51 g/mol, XLogP of 3.84, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-enoate is sourced from PubChem (CID 25025432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).