tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane

C14H28O2Si — CID 54455655

IUPACtert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane
SMILESC=C[C@H]1O[C@@H]1CC(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-12-13(16-12)9-11(2)10-15-17(6,7)14(3,4)5/h8,11-13H,1,9-10H2,2-7H3/t11?,12-,13-/m1/s1
InChIKeyWXZVTPLWMLRFPA-VFRRUGBOSA-N
MW256.46 g/mol
LogP3.99
Rot. Bonds6

About tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane

tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane (PubChem CID 54455655) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane
PubChem CID54455655
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane
SMILESC=C[C@H]1O[C@@H]1CC(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-12-13(16-12)9-11(2)10-15-17(6,7)14(3,4)5/h8,11-13H,1,9-10H2,2-7H3/t11?,12-,13-/m1/s1
InChIKeyWXZVTPLWMLRFPA-VFRRUGBOSA-N
XLogP3.99
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.99
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-methylbutoxy]silane
CID 133082116
tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane
CID 11102001
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
(2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde
CID 11746885
[(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
CID 11635504
tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
CID 57336860
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
CID 10060311
tert-butyl-(2-ethylbut-3-enoxy)-dimethylsilane
CID 86646162
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479
(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol
CID 134979331

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane (CID 54455655) is tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane is C=C[C@H]1O[C@@H]1CC(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane?
The InChIKey is WXZVTPLWMLRFPA-VFRRUGBOSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-12-13(16-12)9-11(2)10-15-17(6,7)14(3,4)5/h8,11-13H,1,9-10H2,2-7H3/t11?,12-,13-/m1/s1.
What are the key properties of tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane?
tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane has a molecular weight of 256.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane is sourced from PubChem (CID 54455655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).