[(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane

C24H34F3NOSi — CID 162411823

About [(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane

[(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 162411823) has the molecular formula C24H34F3NOSi and a molecular weight of 437.62 g/mol. Its IUPAC name is [(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane
• PubChem CID: 162411823
• Molecular Formula: C24H34F3NOSi
• Molecular Weight: 437.62 g/mol
• Exact Mass: 437.24
• IUPAC Name: [(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane
• SMILES: C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1/CN(Cc2ccccc2)C(C(F)(F)F)O1
• InChI: InChI=1S/C24H34F3NOSi/c1-17(2)30(18(3)4,19(5)6)14-13-20(7)22-16-28(23(29-22)24(25,26)27)15-21-11-9-8-10-12-21/h8-12,17-19,23H,15-16H2,1-7H3/b22-20+
• InChIKey: RHVYBQQTQNTURB-LSDHQDQOSA-N
• XLogP: 6.90
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.62
LogP ≤ 5	6.90
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 [(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane?

The IUPAC name of [(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane (CID 162411823) is [(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane.

What is the SMILES notation for [(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane?

The canonical SMILES for [(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane is C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1/CN(Cc2ccccc2)C(C(F)(F)F)O1.

What is the InChIKey of [(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane?

The InChIKey is RHVYBQQTQNTURB-LSDHQDQOSA-N. The full InChI is InChI=1S/C24H34F3NOSi/c1-17(2)30(18(3)4,19(5)6)14-13-20(7)22-16-28(23(29-22)24(25,26)27)15-21-11-9-8-10-12-21/h8-12,17-19,23H,15-16H2,1-7H3/b22-20+.

What are the key properties of [(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane?

[(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 437.62 g/mol, XLogP of 6.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 162411823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).