tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane

C21H40OSi — CID 102092096

About tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane

tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane (PubChem CID 102092096) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane
• PubChem CID: 102092096
• Molecular Formula: C21H40OSi
• Molecular Weight: 336.64 g/mol
• Exact Mass: 336.28
• IUPAC Name: tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane
• SMILES: C=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1/C=C\CCCCCC
• InChI: InChI=1S/C21H40OSi/c1-8-10-11-12-13-14-15-19-17-20(16-18(19)9-2)22-23(6,7)21(3,4)5/h9,14-15,18-20H,2,8,10-13,16-17H2,1,3-7H3/b15-14-/t18-,19+,20+/m0/s1
• InChIKey: SWCQRRYPSCUGBM-JYEFFYACSA-N
• XLogP: 7.12
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	336.64
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane (CID 102092096) is tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane is C=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1/C=C\CCCCCC.

What is the InChIKey of tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane?

The InChIKey is SWCQRRYPSCUGBM-JYEFFYACSA-N. The full InChI is InChI=1S/C21H40OSi/c1-8-10-11-12-13-14-15-19-17-20(16-18(19)9-2)22-23(6,7)21(3,4)5/h9,14-15,18-20H,2,8,10-13,16-17H2,1,3-7H3/b15-14-/t18-,19+,20+/m0/s1.

What are the key properties of tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane?

tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane has a molecular weight of 336.64 g/mol, XLogP of 7.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1R,3R,4S)-3-ethenyl-4-[(Z)-oct-1-enyl]cyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 102092096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).