tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane

C22H28O2Si — CID 46854164

IUPACtert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane
SMILESC[C@@H]1O[C@H]1/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O2Si/c1-18-21(24-18)16-11-17-23-25(22(2,3)4,19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-16,18,21H,17H2,1-4H3/b16-11+/t18-,21-/m0/s1
InChIKeyHDCFNLPEEHGCBV-DSVFEOKZSA-N
MW352.55 g/mol
LogP3.91
Rot. Bonds6

About tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane

tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane (PubChem CID 46854164) has the molecular formula C22H28O2Si and a molecular weight of 352.55 g/mol. Its IUPAC name is tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane
PubChem CID46854164
Molecular FormulaC22H28O2Si
Molecular Weight352.55 g/mol
Exact Mass352.19
IUPAC Nametert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane
SMILESC[C@@H]1O[C@H]1/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O2Si/c1-18-21(24-18)16-11-17-23-25(22(2,3)4,19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-16,18,21H,17H2,1-4H3/b16-11+/t18-,21-/m0/s1
InChIKeyHDCFNLPEEHGCBV-DSVFEOKZSA-N
XLogP3.91
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 53.91
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

(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal
CID 10860332
(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal
CID 11089492
(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
(4S,5S)-4-[(Z)-but-1-enyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-one
CID 11811682
tert-butyl-[[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 46854165
4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
CID 66656955
tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane
CID 73192940
(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 10938882
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595
(E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol
CID 101394418
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542
(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane (CID 46854164) is tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane is C[C@@H]1O[C@H]1/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane?
The InChIKey is HDCFNLPEEHGCBV-DSVFEOKZSA-N. The full InChI is InChI=1S/C22H28O2Si/c1-18-21(24-18)16-11-17-23-25(22(2,3)4,19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-16,18,21H,17H2,1-4H3/b16-11+/t18-,21-/m0/s1.
What are the key properties of tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane?
tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane has a molecular weight of 352.55 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane is sourced from PubChem (CID 46854164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).