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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Related Compounds

methyl (2E,5R,6S,7S,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 11259620
[(2E,6E)-2,6-dimethyl-9-[(2S,3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]nona-2,6-dienyl] acetate
CID 44248348
tert-butyl (Z)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 46193207
methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 71567018
methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate
CID 134866070
ethyl (E)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 135041456
3,4-Epoxyoct-2-enoic acid, 7-(t-butyldimethylsilyloxy-, methyl ester
CID 5368149
(1R,2E,6R,15S,16R)-15-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5,17-dioxabicyclo[14.1.0]heptadec-2-en-4-one
CID 21608909
(1S,2E,6R,15S,16S)-15-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5,17-dioxabicyclo[14.1.0]heptadec-2-en-4-one
CID 21608910
methyl (2Z,5R,6S,7S,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 177448571
[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienyl] (2E)-hepta-2,6-dienoate
CID 11166128
methyl (2E,5S,6R,7R,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 60088516

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).