[(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane

C17H30OSi — CID 11780869

About [(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane

[(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11780869) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is [(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 11780869
• Molecular Formula: C17H30OSi
• Molecular Weight: 278.51 g/mol
• Exact Mass: 278.21
• IUPAC Name: [(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C[C@@H]1C[C@H]2[C@H](C=CC[C@H]2O[Si](C)(C)C(C)(C)C)C1
• InChI: InChI=1S/C17H30OSi/c1-7-13-11-14-9-8-10-16(15(14)12-13)18-19(5,6)17(2,3)4/h7-9,13-16H,1,10-12H2,2-6H3/t13-,14+,15-,16+/m0/s1
• InChIKey: GGJGXSFODFONPW-XUWVNRHRSA-N
• XLogP: 5.17
• 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	278.51
LogP ≤ 5	5.17
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,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane (CID 11780869) is [(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane is C=C[C@@H]1C[C@H]2[C@H](C=CC[C@H]2O[Si](C)(C)C(C)(C)C)C1.

What is the InChIKey of [(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is GGJGXSFODFONPW-XUWVNRHRSA-N. The full InChI is InChI=1S/C17H30OSi/c1-7-13-11-14-9-8-10-16(15(14)12-13)18-19(5,6)17(2,3)4/h7-9,13-16H,1,10-12H2,2-6H3/t13-,14+,15-,16+/m0/s1.

What are the key properties of [(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane?

[(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11780869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).