trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane

C17H29F3OSi — CID 10042537

About trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane

trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane (PubChem CID 10042537) has the molecular formula C17H29F3OSi and a molecular weight of 334.50 g/mol. Its IUPAC name is trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane.

Molecular Properties

• Compound Name: trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
• PubChem CID: 10042537
• Molecular Formula: C17H29F3OSi
• Molecular Weight: 334.50 g/mol
• Exact Mass: 334.19
• IUPAC Name: trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
• SMILES: CC1=C(/C=C/C(C)(O[Si](C)(C)C)C(F)(F)F)C(C)(C)CCC1
• InChI: InChI=1S/C17H29F3OSi/c1-13-9-8-11-15(2,3)14(13)10-12-16(4,17(18,19)20)21-22(5,6)7/h10,12H,8-9,11H2,1-7H3/b12-10+
• InChIKey: BACVEDUQPNYXEZ-ZRDIBKRKSA-N
• XLogP: 6.24
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	334.50
LogP ≤ 5	6.24
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 trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane?

The IUPAC name of trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane (CID 10042537) is trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane.

What is the SMILES notation for trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane?

The canonical SMILES for trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane is CC1=C(/C=C/C(C)(O[Si](C)(C)C)C(F)(F)F)C(C)(C)CCC1.

What is the InChIKey of trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane?

The InChIKey is BACVEDUQPNYXEZ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H29F3OSi/c1-13-9-8-11-15(2,3)14(13)10-12-16(4,17(18,19)20)21-22(5,6)7/h10,12H,8-9,11H2,1-7H3/b12-10+.

What are the key properties of trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane?

trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane has a molecular weight of 334.50 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane is sourced from PubChem (CID 10042537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).