tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane

C18H30O2Si — CID 101364464

IUPACtert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane
SMILESCC[C@@]1(CO[Si](C)(C)C(C)(C)C)O[C@]1(C)c1ccccc1
InChIInChI=1S/C18H30O2Si/c1-8-18(14-19-21(6,7)16(2,3)4)17(5,20-18)15-12-10-9-11-13-15/h9-13H,8,14H2,1-7H3/t17-,18+/m1/s1
InChIKeyPEVLUNHKGJQZMJ-MSOLQXFVSA-N
MW306.52 g/mol
LogP5.10
Rot. Bonds5

About tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane (PubChem CID 101364464) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane
PubChem CID101364464
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Nametert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane
SMILESCC[C@@]1(CO[Si](C)(C)C(C)(C)C)O[C@]1(C)c1ccccc1
InChIInChI=1S/C18H30O2Si/c1-8-18(14-19-21(6,7)16(2,3)4)17(5,20-18)15-12-10-9-11-13-15/h9-13H,8,14H2,1-7H3/t17-,18+/m1/s1
InChIKeyPEVLUNHKGJQZMJ-MSOLQXFVSA-N
XLogP5.10
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.52
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol
CID 101403804
tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane
CID 71551467
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolan-2-ol
CID 102285704
tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane
CID 162540016
methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate
CID 102291630
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217
tert-butyl-[[(2S,5R)-3,5-dimethyl-5-phenyl-2H-furan-2-yl]methoxy]-dimethylsilane
CID 134944366
methyl 2-ethyl-3-methyl-3-phenyloxirane-2-carboxylate
CID 14984831
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane
CID 10739426
cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile
CID 11781176
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(4-nitro-2-pyridinyl)-5-phenylimidazolidine-2,4-dione
CID 71503491

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane (CID 101364464) is tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane is CC[C@@]1(CO[Si](C)(C)C(C)(C)C)O[C@]1(C)c1ccccc1.
What is the InChIKey of tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane?
The InChIKey is PEVLUNHKGJQZMJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-8-18(14-19-21(6,7)16(2,3)4)17(5,20-18)15-12-10-9-11-13-15/h9-13H,8,14H2,1-7H3/t17-,18+/m1/s1.
What are the key properties of tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane has a molecular weight of 306.52 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 101364464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).