tert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane

C13H26O2Si — CID 11021085

IUPACtert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane
SMILESC=C(C)[C@H]1O[C@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-10(2)11-13(6,15-11)9-14-16(7,8)12(3,4)5/h11H,1,9H2,2-8H3/t11-,13-/m1/s1
InChIKeyTWASUUCVWAGFIY-DGCLKSJQSA-N
MW242.43 g/mol
LogP3.74
Rot. Bonds4

About tert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane (PubChem CID 11021085) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane
PubChem CID11021085
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane
SMILESC=C(C)[C@H]1O[C@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-10(2)11-13(6,15-11)9-14-16(7,8)12(3,4)5/h11H,1,9H2,2-8H3/t11-,13-/m1/s1
InChIKeyTWASUUCVWAGFIY-DGCLKSJQSA-N
XLogP3.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.74
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-[[(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-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane
CID 54597403
tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 54597404
Tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane
CID 73115515
tert-butyl-[(2R)-2-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 10538154
tert-butyl-[(2R)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 10562166
tert-butyl-[(2S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 10586277
2,2-Ditert-butyl-6,6-dimethyl-4,6a-dihydrofuro[3,4-d]oxasilole
CID 10612000
tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 10657823
triethyl-[(1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-enoxy]silane
CID 11437111
tert-butyl-dimethyl-[[(2S,3R)-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane
CID 11817043

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane (CID 11021085) is tert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane is C=C(C)[C@H]1O[C@]1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane?
The InChIKey is TWASUUCVWAGFIY-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-10(2)11-13(6,15-11)9-14-16(7,8)12(3,4)5/h11H,1,9H2,2-8H3/t11-,13-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2R,3R)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane has a molecular weight of 242.43 g/mol, XLogP of 3.74, 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)-2-methyl-3-prop-1-en-2-yloxiran-2-yl]methoxy]silane is sourced from PubChem (CID 11021085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).