trimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane

C15H22F3OSSi+ — CID 10550829

IUPACtrimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane
SMILESC[Si](C)(C)C[S+]1CCOC[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3OSSi/c1-21(2,3)11-20-9-8-19-10-14(20)12-6-4-5-7-13(12)15(16,17)18/h4-7,14H,8-11H2,1-3H3/q+1/t14-,20?/m1/s1
InChIKeyXCEVUPPUFICSPG-QMRFKDRMSA-N
MW335.49 g/mol
LogP4.27
Rot. Bonds3

About trimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane

trimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane (PubChem CID 10550829) has the molecular formula C15H22F3OSSi+ and a molecular weight of 335.49 g/mol. Its IUPAC name is trimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane.

Molecular Properties

Compound Nametrimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane
PubChem CID10550829
Molecular FormulaC15H22F3OSSi+
Molecular Weight335.49 g/mol
Exact Mass335.11
IUPAC Nametrimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane
SMILESC[Si](C)(C)C[S+]1CCOC[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3OSSi/c1-21(2,3)11-20-9-8-19-10-14(20)12-6-4-5-7-13(12)15(16,17)18/h4-7,14H,8-11H2,1-3H3/q+1/t14-,20?/m1/s1
InChIKeyXCEVUPPUFICSPG-QMRFKDRMSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane?
The IUPAC name of trimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane (CID 10550829) is trimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane.
What is the SMILES notation for trimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane?
The canonical SMILES for trimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane is C[Si](C)(C)C[S+]1CCOC[C@@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of trimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane?
The InChIKey is XCEVUPPUFICSPG-QMRFKDRMSA-N. The full InChI is InChI=1S/C15H22F3OSSi/c1-21(2,3)11-20-9-8-19-10-14(20)12-6-4-5-7-13(12)15(16,17)18/h4-7,14H,8-11H2,1-3H3/q+1/t14-,20?/m1/s1.
What are the key properties of trimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane?
trimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane has a molecular weight of 335.49 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(3S)-3-[2-(trifluoromethyl)phenyl]-1,4-oxathian-4-ium-4-yl]methyl]silane is sourced from PubChem (CID 10550829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).