tert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane

C13H28OSi2 — CID 101267810

IUPACtert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane
SMILESC=C[C@H]1O[C@@]1([Si](C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi2/c1-10-11-13(14-11,15(5,6)7)16(8,9)12(2,3)4/h10-11H,1H2,2-9H3/t11-,13+/m1/s1
InChIKeyZUUUEBWQDRBDMQ-YPMHNXCESA-N
MW256.54 g/mol
LogP4.24
Rot. Bonds3

About tert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane

tert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane (PubChem CID 101267810) has the molecular formula C13H28OSi2 and a molecular weight of 256.54 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane
PubChem CID101267810
Molecular FormulaC13H28OSi2
Molecular Weight256.54 g/mol
Exact Mass256.17
IUPAC Nametert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane
SMILESC=C[C@H]1O[C@@]1([Si](C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi2/c1-10-11-13(14-11,15(5,6)7)16(8,9)12(2,3)4/h10-11H,1H2,2-9H3/t11-,13+/m1/s1
InChIKeyZUUUEBWQDRBDMQ-YPMHNXCESA-N
XLogP4.24
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.54
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

trimethyl-[(2S,3S)-3-[(E)-2-trimethylsilylethenyl]oxiran-2-yl]silane
CID 11447224
trimethyl-[(E)-2-[(2R,3S)-3-methyloxiran-2-yl]ethenyl]silane
CID 11513786
tert-butyl-[(2S,3R)-3-ethenyloxiran-2-yl]-dimethylsilane
CID 11816276
Trimethyl-[1-(oxiran-2-yl)ethenyl]silane
CID 12012972
Tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane
CID 72974056
tert-butyl-[(2S,3S)-3-ethenyloxiran-2-yl]-dimethylsilane
CID 101394296
trimethyl-[2-[(2R)-oxiran-2-yl]prop-2-enyl]silane
CID 125487230
trimethyl-[(2R,3R)-3-[(E)-2-trimethylsilylethenyl]oxiran-2-yl]silane
CID 134896206
trimethyl-[(E)-2-[(2R,3R)-3-[(E)-2-trimethylsilylethenyl]oxiran-2-yl]ethenyl]silane
CID 134995810
(2-Ethenyloxiran-2-yl)-trimethylsilane
CID 14740945
2-But-3-en-2-yloxyethyl(trimethyl)silane
CID 88892149
3-But-3-en-2-yloxypropyl(trimethyl)silane
CID 175392433

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane (CID 101267810) is tert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane is C=C[C@H]1O[C@@]1([Si](C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane?
The InChIKey is ZUUUEBWQDRBDMQ-YPMHNXCESA-N. The full InChI is InChI=1S/C13H28OSi2/c1-10-11-13(14-11,15(5,6)7)16(8,9)12(2,3)4/h10-11H,1H2,2-9H3/t11-,13+/m1/s1.
What are the key properties of tert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane?
tert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane has a molecular weight of 256.54 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane is sourced from PubChem (CID 101267810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).