[(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane

C21H37BrO2Si — CID 11464555

About [(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane

[(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane (PubChem CID 11464555) has the molecular formula C21H37BrO2Si and a molecular weight of 429.52 g/mol. Its IUPAC name is [(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 11464555
• Molecular Formula: C21H37BrO2Si
• Molecular Weight: 429.52 g/mol
• Exact Mass: 428.17
• IUPAC Name: [(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C(C)[C@H]1CC[C@H]([C@H]2CC/C(=C/CBr)CO2)[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C21H37BrO2Si/c1-15(2)17-9-10-18(19-11-8-16(12-13-22)14-23-19)20(17)24-25(6,7)21(3,4)5/h12,17-20H,1,8-11,13-14H2,2-7H3/b16-12-/t17-,18-,19-,20+/m1/s1
• InChIKey: GTGCKKMGNQGAQP-QSWXTHSUSA-N
• XLogP: 6.48
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', '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 [(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane (CID 11464555) is [(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane is C=C(C)[C@H]1CC[C@H]([C@H]2CC/C(=C/CBr)CO2)[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane?

The InChIKey is GTGCKKMGNQGAQP-QSWXTHSUSA-N. The full InChI is InChI=1S/C21H37BrO2Si/c1-15(2)17-9-10-18(19-11-8-16(12-13-22)14-23-19)20(17)24-25(6,7)21(3,4)5/h12,17-20H,1,8-11,13-14H2,2-7H3/b16-12-/t17-,18-,19-,20+/m1/s1.

What are the key properties of [(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane?

[(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 429.52 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11464555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).