3-iodo-1,1-dimethylsilolane

C6H13ISi — CID 122714210

IUPAC3-iodo-1,1-dimethylsilolane
SMILESC[Si]1(C)CCC(I)C1
InChIInChI=1S/C6H13ISi/c1-8(2)4-3-6(7)5-8/h6H,3-5H2,1-2H3
InChIKeyCYCASAFEKWNECR-UHFFFAOYSA-N
MW240.16 g/mol
LogP2.90
Rot. Bonds

About 3-iodo-1,1-dimethylsilolane

3-iodo-1,1-dimethylsilolane (PubChem CID 122714210) has the molecular formula C6H13ISi and a molecular weight of 240.16 g/mol. Its IUPAC name is 3-iodo-1,1-dimethylsilolane.

Molecular Properties

Compound Name3-iodo-1,1-dimethylsilolane
PubChem CID122714210
Molecular FormulaC6H13ISi
Molecular Weight240.16 g/mol
Exact Mass239.98
IUPAC Name3-iodo-1,1-dimethylsilolane
SMILESC[Si]1(C)CCC(I)C1
InChIInChI=1S/C6H13ISi/c1-8(2)4-3-6(7)5-8/h6H,3-5H2,1-2H3
InChIKeyCYCASAFEKWNECR-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-1,1-dimethylsilolane?
The IUPAC name of 3-iodo-1,1-dimethylsilolane (CID 122714210) is 3-iodo-1,1-dimethylsilolane.
What is the SMILES notation for 3-iodo-1,1-dimethylsilolane?
The canonical SMILES for 3-iodo-1,1-dimethylsilolane is C[Si]1(C)CCC(I)C1.
What is the InChIKey of 3-iodo-1,1-dimethylsilolane?
The InChIKey is CYCASAFEKWNECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ISi/c1-8(2)4-3-6(7)5-8/h6H,3-5H2,1-2H3.
What are the key properties of 3-iodo-1,1-dimethylsilolane?
3-iodo-1,1-dimethylsilolane has a molecular weight of 240.16 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,1-dimethylsilolane is sourced from PubChem (CID 122714210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).