tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane

C12H24O2Si — CID 10609428

IUPACtert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane
SMILESC/C=C/[C@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-8-10-11(14-10)9-13-15(5,6)12(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7+/t10-,11-/m1/s1
InChIKeyRQQHBFMHGIJPKG-QSNNZYTBSA-N
MW228.41 g/mol
LogP3.35
Rot. Bonds4

About tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane (PubChem CID 10609428) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane
PubChem CID10609428
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane
SMILESC/C=C/[C@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-7-8-10-11(14-10)9-13-15(5,6)12(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7+/t10-,11-/m1/s1
InChIKeyRQQHBFMHGIJPKG-QSNNZYTBSA-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

2-(2,5-Dihydrofuran-2-yl)ethoxy-tri(propan-2-yl)silane
CID 10540004
tert-butyl-[[(2S,3S)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 10824866
tert-butyl-[[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 11160538
tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane
CID 11806435
tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane
CID 14633649
tert-butyl-[[(2S,5S)-3,5-dimethyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 21630666
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
CID 25224257
methyl (E)-3-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 71567018
Tert-butyl-[(3-ethenyloxiran-2-yl)methoxy]-dimethylsilane
CID 72750800
tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 101083171
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane (CID 10609428) is tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane is C/C=C/[C@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane?
The InChIKey is RQQHBFMHGIJPKG-QSNNZYTBSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-8-10-11(14-10)9-13-15(5,6)12(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7+/t10-,11-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane 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-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane is sourced from PubChem (CID 10609428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).