[(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane

C18H32OSi — CID 15855617

About [(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane

[(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 15855617) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is [(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 15855617
• Molecular Formula: C18H32OSi
• Molecular Weight: 292.54 g/mol
• Exact Mass: 292.22
• IUPAC Name: [(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C[C@@H]1C[C@H]2[C@H](C=CCC[C@H]2O[Si](C)(C)C(C)(C)C)C1
• InChI: InChI=1S/C18H32OSi/c1-7-14-12-15-10-8-9-11-17(16(15)13-14)19-20(5,6)18(2,3)4/h7-8,10,14-17H,1,9,11-13H2,2-6H3/t14-,15+,16-,17+/m0/s1
• InChIKey: ISPZDKHFXULSRY-VVLHAWIVSA-N
• XLogP: 5.56
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	292.54
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane (CID 15855617) is [(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane is C=C[C@@H]1C[C@H]2[C@H](C=CCC[C@H]2O[Si](C)(C)C(C)(C)C)C1.

What is the InChIKey of [(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is ISPZDKHFXULSRY-VVLHAWIVSA-N. The full InChI is InChI=1S/C18H32OSi/c1-7-14-12-15-10-8-9-11-17(16(15)13-14)19-20(5,6)18(2,3)4/h7-8,10,14-17H,1,9,11-13H2,2-6H3/t14-,15+,16-,17+/m0/s1.

What are the key properties of [(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane?

[(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 15855617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).