cyclooctanesulfonyl iodide

C8H15IO2S — CID 22935862

IUPACcyclooctanesulfonyl iodide
SMILESO=S(=O)(I)C1CCCCCCC1
InChIInChI=1S/C8H15IO2S/c9-12(10,11)8-6-4-2-1-3-5-7-8/h8H,1-7H2
InChIKeyWVSZAJBWHTXZRV-UHFFFAOYSA-N
MW302.18 g/mol
LogP2.86
Rot. Bonds1

About cyclooctanesulfonyl iodide

cyclooctanesulfonyl iodide (PubChem CID 22935862) has the molecular formula C8H15IO2S and a molecular weight of 302.18 g/mol. Its IUPAC name is cyclooctanesulfonyl iodide.

Molecular Properties

Compound Namecyclooctanesulfonyl iodide
PubChem CID22935862
Molecular FormulaC8H15IO2S
Molecular Weight302.18 g/mol
Exact Mass301.98
IUPAC Namecyclooctanesulfonyl iodide
SMILESO=S(=O)(I)C1CCCCCCC1
InChIInChI=1S/C8H15IO2S/c9-12(10,11)8-6-4-2-1-3-5-7-8/h8H,1-7H2
InChIKeyWVSZAJBWHTXZRV-UHFFFAOYSA-N
XLogP2.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclooctanesulfonyl iodide?
The IUPAC name of cyclooctanesulfonyl iodide (CID 22935862) is cyclooctanesulfonyl iodide.
What is the SMILES notation for cyclooctanesulfonyl iodide?
The canonical SMILES for cyclooctanesulfonyl iodide is O=S(=O)(I)C1CCCCCCC1.
What is the InChIKey of cyclooctanesulfonyl iodide?
The InChIKey is WVSZAJBWHTXZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IO2S/c9-12(10,11)8-6-4-2-1-3-5-7-8/h8H,1-7H2.
What are the key properties of cyclooctanesulfonyl iodide?
cyclooctanesulfonyl iodide has a molecular weight of 302.18 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctanesulfonyl iodide is sourced from PubChem (CID 22935862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).