trimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane

C14H20OSi — CID 101241774

IUPACtrimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane
SMILESCc1ccc([C@@H]2O[C@@H]2/C=C/[Si](C)(C)C)cc1
InChIInChI=1S/C14H20OSi/c1-11-5-7-12(8-6-11)14-13(15-14)9-10-16(2,3)4/h5-10,13-14H,1-4H3/b10-9+/t13-,14+/m1/s1
InChIKeyKWYZBPDVIBTKIV-HOQBHHMFSA-N
MW232.40 g/mol
LogP3.87
Rot. Bonds3

About trimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane

trimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane (PubChem CID 101241774) has the molecular formula C14H20OSi and a molecular weight of 232.40 g/mol. Its IUPAC name is trimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane
PubChem CID101241774
Molecular FormulaC14H20OSi
Molecular Weight232.40 g/mol
Exact Mass232.13
IUPAC Nametrimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane
SMILESCc1ccc([C@@H]2O[C@@H]2/C=C/[Si](C)(C)C)cc1
InChIInChI=1S/C14H20OSi/c1-11-5-7-12(8-6-11)14-13(15-14)9-10-16(2,3)4/h5-10,13-14H,1-4H3/b10-9+/t13-,14+/m1/s1
InChIKeyKWYZBPDVIBTKIV-HOQBHHMFSA-N
XLogP3.87
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 53.87
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane?
The IUPAC name of trimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane (CID 101241774) is trimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane.
What is the SMILES notation for trimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane?
The canonical SMILES for trimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane is Cc1ccc([C@@H]2O[C@@H]2/C=C/[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane?
The InChIKey is KWYZBPDVIBTKIV-HOQBHHMFSA-N. The full InChI is InChI=1S/C14H20OSi/c1-11-5-7-12(8-6-11)14-13(15-14)9-10-16(2,3)4/h5-10,13-14H,1-4H3/b10-9+/t13-,14+/m1/s1.
What are the key properties of trimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane?
trimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane has a molecular weight of 232.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane is sourced from PubChem (CID 101241774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).