tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane

C12H24O2Si — CID 11806435

IUPACtert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane
SMILESC=C[C@@H]1O[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-8-10-11(13-10)9(2)14-15(6,7)12(3,4)5/h8-11H,1H2,2-7H3/t9-,10-,11-/m0/s1
InChIKeyGBHSOHPMNDJDGQ-DCAQKATOSA-N
MW228.41 g/mol
LogP3.35
Rot. Bonds4

About tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane (PubChem CID 11806435) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane
PubChem CID11806435
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane
SMILESC=C[C@@H]1O[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-8-10-11(13-10)9(2)14-15(6,7)12(3,4)5/h8-11H,1H2,2-7H3/t9-,10-,11-/m0/s1
InChIKeyGBHSOHPMNDJDGQ-DCAQKATOSA-N
XLogP3.35
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.35
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-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-enoxyethoxy]silane
CID 10634976
tert-butyl-[[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 11160538
tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane
CID 11551386
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
CID 25224257
Tert-butyl-[(3-ethenyloxiran-2-yl)methoxy]-dimethylsilane
CID 72750800
Tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane
CID 72974056
Tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane
CID 73115515
tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane
CID 102183142
trimethyl-[(1R)-1-[(2S)-oxiran-2-yl]prop-2-enoxy]silane
CID 134863495
tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane
CID 134963399
trimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
CID 10866807
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
CID 10976828

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane (CID 11806435) is tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane is C=C[C@@H]1O[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane?
The InChIKey is GBHSOHPMNDJDGQ-DCAQKATOSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-8-10-11(13-10)9(2)14-15(6,7)12(3,4)5/h8-11H,1H2,2-7H3/t9-,10-,11-/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane has a molecular weight of 228.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 11806435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).