tert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane

C11H21IOSi — CID 19904690

IUPACtert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(I)C1
InChIInChI=1S/C11H21IOSi/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h6-7,9-10H,8H2,1-5H3
InChIKeyAJQWBPBWUCYOQC-UHFFFAOYSA-N
MW324.28 g/mol
LogP4.14
Rot. Bonds2

About tert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane

tert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane (PubChem CID 19904690) has the molecular formula C11H21IOSi and a molecular weight of 324.28 g/mol. Its IUPAC name is tert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane
PubChem CID19904690
Molecular FormulaC11H21IOSi
Molecular Weight324.28 g/mol
Exact Mass324.04
IUPAC Nametert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(I)C1
InChIInChI=1S/C11H21IOSi/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h6-7,9-10H,8H2,1-5H3
InChIKeyAJQWBPBWUCYOQC-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 54.14
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'}

Analyze tert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane (CID 19904690) is tert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C=CC(I)C1.
What is the InChIKey of tert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane?
The InChIKey is AJQWBPBWUCYOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IOSi/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h6-7,9-10H,8H2,1-5H3.
What are the key properties of tert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane?
tert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane has a molecular weight of 324.28 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-iodocyclopent-2-en-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 19904690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).