tert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane

C12H23IOSi — CID 11279165

IUPACtert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC=C1CI
InChIInChI=1S/C12H23IOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(11)9-13/h7,11H,6,8-9H2,1-5H3
InChIKeyXHMZAHFEDGYBOU-UHFFFAOYSA-N
MW338.31 g/mol
LogP4.53
Rot. Bonds3

About tert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 11279165) has the molecular formula C12H23IOSi and a molecular weight of 338.31 g/mol. Its IUPAC name is tert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID11279165
Molecular FormulaC12H23IOSi
Molecular Weight338.31 g/mol
Exact Mass338.06
IUPAC Nametert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC=C1CI
InChIInChI=1S/C12H23IOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(11)9-13/h7,11H,6,8-9H2,1-5H3
InChIKeyXHMZAHFEDGYBOU-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Tert-butyl-cyclopent-2-en-1-yloxy-dimethylsilane
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Ctk0J4668
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triethyl-[(1S)-2-methylcyclopent-2-en-1-yl]oxysilane
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tert-butyl-[(2E,6E)-7-iodo-2,6-dimethylhepta-2,6-dienoxy]-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane (CID 11279165) is tert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCC=C1CI.
What is the InChIKey of tert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is XHMZAHFEDGYBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23IOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(11)9-13/h7,11H,6,8-9H2,1-5H3.
What are the key properties of tert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 338.31 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(iodomethyl)cyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11279165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).