2-ethylhexane-1-sulfonyl iodide

C8H17IO2S — CID 134896154

IUPAC2-ethylhexane-1-sulfonyl iodide
SMILESCCCCC(CC)CS(=O)(=O)I
InChIInChI=1S/C8H17IO2S/c1-3-5-6-8(4-2)7-12(9,10)11/h8H,3-7H2,1-2H3
InChIKeyXHWYDSPPSDFECD-UHFFFAOYSA-N
MW304.19 g/mol
LogP2.97
Rot. Bonds6

About 2-ethylhexane-1-sulfonyl iodide

2-ethylhexane-1-sulfonyl iodide (PubChem CID 134896154) has the molecular formula C8H17IO2S and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-ethylhexane-1-sulfonyl iodide.

Molecular Properties

Compound Name2-ethylhexane-1-sulfonyl iodide
PubChem CID134896154
Molecular FormulaC8H17IO2S
Molecular Weight304.19 g/mol
Exact Mass304.00
IUPAC Name2-ethylhexane-1-sulfonyl iodide
SMILESCCCCC(CC)CS(=O)(=O)I
InChIInChI=1S/C8H17IO2S/c1-3-5-6-8(4-2)7-12(9,10)11/h8H,3-7H2,1-2H3
InChIKeyXHWYDSPPSDFECD-UHFFFAOYSA-N
XLogP2.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(ethenylsulfonylmethyl)heptane
CID 7046547
4-[(2R)-2-ethylhexyl]sulfonyloxybutyl (2R)-2-ethylhexane-1-sulfonate
CID 98566301
3-ethyl-1-(3-ethylheptylsulfonyl)heptane
CID 57030599
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
3-ethylicosane
CID 528487
3-ethylpentacosane
CID 22224239
3-ethyloctane;propane
CID 143682929
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
3-(fluoromethyl)undecane
CID 11658419
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexane-1-sulfonyl iodide?
The IUPAC name of 2-ethylhexane-1-sulfonyl iodide (CID 134896154) is 2-ethylhexane-1-sulfonyl iodide.
What is the SMILES notation for 2-ethylhexane-1-sulfonyl iodide?
The canonical SMILES for 2-ethylhexane-1-sulfonyl iodide is CCCCC(CC)CS(=O)(=O)I.
What is the InChIKey of 2-ethylhexane-1-sulfonyl iodide?
The InChIKey is XHWYDSPPSDFECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17IO2S/c1-3-5-6-8(4-2)7-12(9,10)11/h8H,3-7H2,1-2H3.
What are the key properties of 2-ethylhexane-1-sulfonyl iodide?
2-ethylhexane-1-sulfonyl iodide has a molecular weight of 304.19 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexane-1-sulfonyl iodide is sourced from PubChem (CID 134896154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).