trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane

C13H16OSi — CID 15649748

IUPACtrimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C13H16OSi/c1-15(2,3)10-9-12-13(14-12)11-7-5-4-6-8-11/h4-8,12-13H,1-3H3/t12-,13-/m0/s1
InChIKeyFIVLJAABHQGVJM-STQMWFEESA-N
MW216.36 g/mol
LogP3.01
Rot. Bonds1

About trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane

trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane (PubChem CID 15649748) has the molecular formula C13H16OSi and a molecular weight of 216.36 g/mol. Its IUPAC name is trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane
PubChem CID15649748
Molecular FormulaC13H16OSi
Molecular Weight216.36 g/mol
Exact Mass216.10
IUPAC Nametrimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C13H16OSi/c1-15(2,3)10-9-12-13(14-12)11-7-5-4-6-8-11/h4-8,12-13H,1-3H3/t12-,13-/m0/s1
InChIKeyFIVLJAABHQGVJM-STQMWFEESA-N
XLogP3.01
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-ethynyl-3-phenyloxirane
CID 11768694
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595
2-[(2R,3S)-1-(benzenesulfonyl)-3-phenylaziridin-2-yl]ethynyl-trimethylsilane
CID 101176254
2-(2,3-diphenylcyclopropyl)ethynyl-trimethylsilane;hexachloroantimony(1-)
CID 134977418
tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane
CID 23240933
trimethyl-[2-[(2S,3R)-3-methyl-3-phenyloxiran-2-yl]ethynyl]silane
CID 11107163
trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane
CID 101176241
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681
(3S,4S)-3,4-diphenyldioxetane
CID 71394517

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane (CID 15649748) is trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane is C[Si](C)(C)C#C[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane?
The InChIKey is FIVLJAABHQGVJM-STQMWFEESA-N. The full InChI is InChI=1S/C13H16OSi/c1-15(2,3)10-9-12-13(14-12)11-7-5-4-6-8-11/h4-8,12-13H,1-3H3/t12-,13-/m0/s1.
What are the key properties of trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane?
trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane has a molecular weight of 216.36 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane is sourced from PubChem (CID 15649748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).