2-ethylhexylsulfonylsulfonylcyclohexane

C14H28O4S2 — CID 67591157

IUPAC2-ethylhexylsulfonylsulfonylcyclohexane
SMILESCCCCC(CC)CS(=O)(=O)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H28O4S2/c1-3-5-9-13(4-2)12-19(15,16)20(17,18)14-10-7-6-8-11-14/h13-14H,3-12H2,1-2H3
InChIKeyXXBXNARDASOMJY-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.28
Rot. Bonds8

About 2-ethylhexylsulfonylsulfonylcyclohexane

2-ethylhexylsulfonylsulfonylcyclohexane (PubChem CID 67591157) has the molecular formula C14H28O4S2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-ethylhexylsulfonylsulfonylcyclohexane.

Molecular Properties

Compound Name2-ethylhexylsulfonylsulfonylcyclohexane
PubChem CID67591157
Molecular FormulaC14H28O4S2
Molecular Weight324.51 g/mol
Exact Mass324.14
IUPAC Name2-ethylhexylsulfonylsulfonylcyclohexane
SMILESCCCCC(CC)CS(=O)(=O)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H28O4S2/c1-3-5-9-13(4-2)12-19(15,16)20(17,18)14-10-7-6-8-11-14/h13-14H,3-12H2,1-2H3
InChIKeyXXBXNARDASOMJY-UHFFFAOYSA-N
XLogP3.28
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexylsulfonylsulfonylcyclohexane?
The IUPAC name of 2-ethylhexylsulfonylsulfonylcyclohexane (CID 67591157) is 2-ethylhexylsulfonylsulfonylcyclohexane.
What is the SMILES notation for 2-ethylhexylsulfonylsulfonylcyclohexane?
The canonical SMILES for 2-ethylhexylsulfonylsulfonylcyclohexane is CCCCC(CC)CS(=O)(=O)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-ethylhexylsulfonylsulfonylcyclohexane?
The InChIKey is XXBXNARDASOMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4S2/c1-3-5-9-13(4-2)12-19(15,16)20(17,18)14-10-7-6-8-11-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-ethylhexylsulfonylsulfonylcyclohexane?
2-ethylhexylsulfonylsulfonylcyclohexane has a molecular weight of 324.51 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexylsulfonylsulfonylcyclohexane is sourced from PubChem (CID 67591157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).