tert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane

C16H30O2Si — CID 101137268

IUPACtert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@]1(C)O[C@H]1/C=C/C(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-10-16(7)13(17-16)11-12-15(5,6)18-19(8,9)14(2,3)4/h10-13H,1H2,2-9H3/b12-11+/t13-,16-/m0/s1
InChIKeyOVDOHSLKLNKCSH-XPMIASGBSA-N
MW282.50 g/mol
LogP4.69
Rot. Bonds5

About tert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane (PubChem CID 101137268) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is tert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane
PubChem CID101137268
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Nametert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@]1(C)O[C@H]1/C=C/C(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-10-16(7)13(17-16)11-12-15(5,6)18-19(8,9)14(2,3)4/h10-13H,1H2,2-9H3/b12-11+/t13-,16-/m0/s1
InChIKeyOVDOHSLKLNKCSH-XPMIASGBSA-N
XLogP4.69
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-[[(2S,3S)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 10824866
tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 101083171
tert-butyl-dimethyl-[(E)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoxy]silane
CID 134835508
tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane
CID 134960946
2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane
CID 134993019
tert-butyl-dimethyl-[(E)-3-(3-methyloxiran-2-yl)prop-2-enoxy]silane
CID 102461532
[dimethyl-[(E)-2-methyl-6-[(2-methylpropan-2-yl)oxy]hept-4-en-2-yl]silyl]oxy-dimethyl-[(E)-2-methyl-6-[(2-methylpropan-2-yl)oxy]hept-4-en-2-yl]silane
CID 88637725
[Dimethyl-[2-methyl-6-[(2-methylpropan-2-yl)oxy]hept-4-en-2-yl]silyl]oxy-dimethyl-[2-methyl-6-[(2-methylpropan-2-yl)oxy]hept-4-en-2-yl]silane
CID 173399486
Tert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane
CID 173399487
tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane
CID 10515259
tert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane
CID 10609427
tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane
CID 10609428

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane (CID 101137268) is tert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane is C=C[C@]1(C)O[C@H]1/C=C/C(C)(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane?
The InChIKey is OVDOHSLKLNKCSH-XPMIASGBSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-10-16(7)13(17-16)11-12-15(5,6)18-19(8,9)14(2,3)4/h10-13H,1H2,2-9H3/b12-11+/t13-,16-/m0/s1.
What are the key properties of tert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane has a molecular weight of 282.50 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 101137268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).