tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane

C15H26ClFOSi — CID 11243654

About tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane (PubChem CID 11243654) has the molecular formula C15H26ClFOSi and a molecular weight of 304.91 g/mol. Its IUPAC name is tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane
• PubChem CID: 11243654
• Molecular Formula: C15H26ClFOSi
• Molecular Weight: 304.91 g/mol
• Exact Mass: 304.14
• IUPAC Name: tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane
• SMILES: C=C1/C(=C\CCl)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F
• InChI: InChI=1S/C15H26ClFOSi/c1-11-12(7-8-16)9-13(10-14(11)17)18-19(5,6)15(2,3)4/h7,13-14H,1,8-10H2,2-6H3/b12-7-/t13-,14+/m1/s1
• InChIKey: GKQXXODOWOZBOE-SADRXWBLSA-N
• XLogP: 5.23
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	304.91
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane (CID 11243654) is tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane is C=C1/C(=C\CCl)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F.

What is the InChIKey of tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane?

The InChIKey is GKQXXODOWOZBOE-SADRXWBLSA-N. The full InChI is InChI=1S/C15H26ClFOSi/c1-11-12(7-8-16)9-13(10-14(11)17)18-19(5,6)15(2,3)4/h7,13-14H,1,8-10H2,2-6H3/b12-7-/t13-,14+/m1/s1.

What are the key properties of tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane?

tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane has a molecular weight of 304.91 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 11243654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).