tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane

C22H27F3OSi — CID 162537325

About tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane (PubChem CID 162537325) has the molecular formula C22H27F3OSi and a molecular weight of 392.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
• PubChem CID: 162537325
• Molecular Formula: C22H27F3OSi
• Molecular Weight: 392.54 g/mol
• Exact Mass: 392.18
• IUPAC Name: tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1c2ccccc2C[C@H]1c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C22H27F3OSi/c1-21(2,3)27(4,5)26-20-18-9-7-6-8-16(18)14-19(20)15-10-12-17(13-11-15)22(23,24)25/h6-13,19-20H,14H2,1-5H3/t19-,20+/m0/s1
• InChIKey: SPGGXMPYMRVDDY-VQTJNVASSA-N
• XLogP: 7.11
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.54
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane?

The IUPAC name of tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane (CID 162537325) is tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@@H]1c2ccccc2C[C@H]1c1ccc(C(F)(F)F)cc1.

What is the InChIKey of tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane?

The InChIKey is SPGGXMPYMRVDDY-VQTJNVASSA-N. The full InChI is InChI=1S/C22H27F3OSi/c1-21(2,3)27(4,5)26-20-18-9-7-6-8-16(18)14-19(20)15-10-12-17(13-11-15)22(23,24)25/h6-13,19-20H,14H2,1-5H3/t19-,20+/m0/s1.

What are the key properties of tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane?

tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane has a molecular weight of 392.54 g/mol, XLogP of 7.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane is sourced from PubChem (CID 162537325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).