triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane

C16H30O2Si — CID 140564405

IUPACtriethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane
SMILESC=C(C)C[C@]1([C@@H](/C=C/C)O[Si](CC)(CC)CC)CO1
InChIInChI=1S/C16H30O2Si/c1-7-11-15(16(13-17-16)12-14(5)6)18-19(8-2,9-3)10-4/h7,11,15H,5,8-10,12-13H2,1-4,6H3/b11-7+/t15-,16-/m1/s1
InChIKeyKZIYIQRGABSJLX-KNFPLBEISA-N
MW282.50 g/mol
LogP4.69
Rot. Bonds9

About triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane

triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane (PubChem CID 140564405) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane.

Molecular Properties

Compound Nametriethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane
PubChem CID140564405
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Nametriethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane
SMILESC=C(C)C[C@]1([C@@H](/C=C/C)O[Si](CC)(CC)CC)CO1
InChIInChI=1S/C16H30O2Si/c1-7-11-15(16(13-17-16)12-14(5)6)18-19(8-2,9-3)10-4/h7,11,15H,5,8-10,12-13H2,1-4,6H3/b11-7+/t15-,16-/m1/s1
InChIKeyKZIYIQRGABSJLX-KNFPLBEISA-N
XLogP4.69
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 10913076
tert-butyl-dimethyl-[[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 11022441
Trimethyl-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 13074681
tert-butyl-dimethyl-[[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 100945698
tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 14494226
(E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol
CID 25025433
triethyl-[(1R,2R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-2-triethylsilyloxybut-3-enoxy]silane
CID 88955401
tert-butyl-[(E,4R,5R)-5-methoxy-5-methylnon-2-en-4-yl]oxy-dimethylsilane
CID 89732668
trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane
CID 10944221
triethyl-[(1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-enoxy]silane
CID 11437111
tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 11437596
tert-butyl-dimethyl-[[(1S,2S,6S)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane
CID 11470182

Frequently Asked Questions

What is the IUPAC name of triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane?
The IUPAC name of triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane (CID 140564405) is triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane.
What is the SMILES notation for triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane?
The canonical SMILES for triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane is C=C(C)C[C@]1([C@@H](/C=C/C)O[Si](CC)(CC)CC)CO1.
What is the InChIKey of triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane?
The InChIKey is KZIYIQRGABSJLX-KNFPLBEISA-N. The full InChI is InChI=1S/C16H30O2Si/c1-7-11-15(16(13-17-16)12-14(5)6)18-19(8-2,9-3)10-4/h7,11,15H,5,8-10,12-13H2,1-4,6H3/b11-7+/t15-,16-/m1/s1.
What are the key properties of triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane?
triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane has a molecular weight of 282.50 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane is sourced from PubChem (CID 140564405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).