2-(2-ethylhexadecylsulfonyl)ethanol

C20H42O3S — CID 23338539

IUPAC2-(2-ethylhexadecylsulfonyl)ethanol
SMILESCCCCCCCCCCCCCCC(CC)CS(=O)(=O)CCO
InChIInChI=1S/C20H42O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20(4-2)19-24(22,23)18-17-21/h20-21H,3-19H2,1-2H3
InChIKeyBZQIJULVLZVXCL-UHFFFAOYSA-N
MW362.62 g/mol
LogP5.51
Rot. Bonds18

About 2-(2-ethylhexadecylsulfonyl)ethanol

2-(2-ethylhexadecylsulfonyl)ethanol (PubChem CID 23338539) has the molecular formula C20H42O3S and a molecular weight of 362.62 g/mol. Its IUPAC name is 2-(2-ethylhexadecylsulfonyl)ethanol.

Molecular Properties

Compound Name2-(2-ethylhexadecylsulfonyl)ethanol
PubChem CID23338539
Molecular FormulaC20H42O3S
Molecular Weight362.62 g/mol
Exact Mass362.29
IUPAC Name2-(2-ethylhexadecylsulfonyl)ethanol
SMILESCCCCCCCCCCCCCCC(CC)CS(=O)(=O)CCO
InChIInChI=1S/C20H42O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20(4-2)19-24(22,23)18-17-21/h20-21H,3-19H2,1-2H3
InChIKeyBZQIJULVLZVXCL-UHFFFAOYSA-N
XLogP5.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.62
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexadecylsulfonyl)ethanol?
The IUPAC name of 2-(2-ethylhexadecylsulfonyl)ethanol (CID 23338539) is 2-(2-ethylhexadecylsulfonyl)ethanol.
What is the SMILES notation for 2-(2-ethylhexadecylsulfonyl)ethanol?
The canonical SMILES for 2-(2-ethylhexadecylsulfonyl)ethanol is CCCCCCCCCCCCCCC(CC)CS(=O)(=O)CCO.
What is the InChIKey of 2-(2-ethylhexadecylsulfonyl)ethanol?
The InChIKey is BZQIJULVLZVXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20(4-2)19-24(22,23)18-17-21/h20-21H,3-19H2,1-2H3.
What are the key properties of 2-(2-ethylhexadecylsulfonyl)ethanol?
2-(2-ethylhexadecylsulfonyl)ethanol has a molecular weight of 362.62 g/mol, XLogP of 5.51, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexadecylsulfonyl)ethanol is sourced from PubChem (CID 23338539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).