[(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane

C15H29BrO3Si — CID 11849278

IUPAC[(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCCOC(CBr)O[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H29BrO3Si/c1-7-17-14(11-16)18-12-8-9-13(10-12)19-20(5,6)15(2,3)4/h8-9,12-14H,7,10-11H2,1-6H3/t12-,13+,14?/m0/s1
InChIKeyUZCYDAZLLBCTPH-WLDKUNSKSA-N
MW365.38 g/mol
LogP4.48
Rot. Bonds7

About [(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane

[(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11849278) has the molecular formula C15H29BrO3Si and a molecular weight of 365.38 g/mol. Its IUPAC name is [(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11849278
Molecular FormulaC15H29BrO3Si
Molecular Weight365.38 g/mol
Exact Mass364.11
IUPAC Name[(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCCOC(CBr)O[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H29BrO3Si/c1-7-17-14(11-16)18-12-8-9-13(10-12)19-20(5,6)15(2,3)4/h8-9,12-14H,7,10-11H2,1-6H3/t12-,13+,14?/m0/s1
InChIKeyUZCYDAZLLBCTPH-WLDKUNSKSA-N
XLogP4.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (CID 11849278) is [(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is CCOC(CBr)O[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is UZCYDAZLLBCTPH-WLDKUNSKSA-N. The full InChI is InChI=1S/C15H29BrO3Si/c1-7-17-14(11-16)18-12-8-9-13(10-12)19-20(5,6)15(2,3)4/h8-9,12-14H,7,10-11H2,1-6H3/t12-,13+,14?/m0/s1.
What are the key properties of [(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 365.38 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11849278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).