tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane

C24H33F6NOSi — CID 122219646

About tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane

tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane (PubChem CID 122219646) has the molecular formula C24H33F6NOSi and a molecular weight of 493.61 g/mol. Its IUPAC name is tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane
• PubChem CID: 122219646
• Molecular Formula: C24H33F6NOSi
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.22
• IUPAC Name: tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane
• SMILES: CC(C)[Si](C#CCC1CN(Cc2ccc(C(F)(F)F)cc2)C(C(F)(F)F)O1)(C(C)C)C(C)C
• InChI: InChI=1S/C24H33F6NOSi/c1-16(2)33(17(3)4,18(5)6)13-7-8-21-15-31(22(32-21)24(28,29)30)14-19-9-11-20(12-10-19)23(25,26)27/h9-12,16-18,21-22H,8,14-15H2,1-6H3
• InChIKey: JOKCRNWKZLPTNM-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane?

The IUPAC name of tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane (CID 122219646) is tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane.

What is the SMILES notation for tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane?

The canonical SMILES for tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane is CC(C)[Si](C#CCC1CN(Cc2ccc(C(F)(F)F)cc2)C(C(F)(F)F)O1)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane?

The InChIKey is JOKCRNWKZLPTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F6NOSi/c1-16(2)33(17(3)4,18(5)6)13-7-8-21-15-31(22(32-21)24(28,29)30)14-19-9-11-20(12-10-19)23(25,26)27/h9-12,16-18,21-22H,8,14-15H2,1-6H3.

What are the key properties of tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane?

tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane has a molecular weight of 493.61 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[3-[2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-5-yl]prop-1-ynyl]silane is sourced from PubChem (CID 122219646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).