tert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane

C12H24O2Si — CID 10609427

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

About tert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane

tert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane (PubChem CID 10609427) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane
PubChem CID10609427
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane
SMILESC[C@H]1O[C@@H]1/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-10-11(14-10)8-7-9-13-15(5,6)12(2,3)4/h7-8,10-11H,9H2,1-6H3/b8-7+/t10-,11-/m1/s1
InChIKeySNGOZAHYZLGYLJ-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
trimethyl-[(E)-2-[(2R,3S)-3-methyloxiran-2-yl]ethenyl]silane
CID 11513786
tert-butyl-[(2Z)-4-methoxy-6-methylhepta-2,5-dienoxy]-dimethylsilane
CID 11572572
Tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane
CID 72974056
tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 101083171
Tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
CID 102504792
tert-butyl-dimethyl-[(E)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoxy]silane
CID 134835508
(3-Methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane
CID 134906247
Tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
CID 134906464
2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane
CID 134993019
tert-butyl-(3,6-dihydro-2H-pyran-6-ylmethoxy)-dimethylsilane
CID 135082260

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane (CID 10609427) is tert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane is C[C@H]1O[C@@H]1/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane?
The InChIKey is SNGOZAHYZLGYLJ-QSNNZYTBSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-10-11(14-10)8-7-9-13-15(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-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane?
tert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]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-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane is sourced from PubChem (CID 10609427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).