2-(2-ethyldodecylsulfonyl)propan-1-ol

C17H36O3S — CID 23338537

IUPAC2-(2-ethyldodecylsulfonyl)propan-1-ol
SMILESCCCCCCCCCCC(CC)CS(=O)(=O)C(C)CO
InChIInChI=1S/C17H36O3S/c1-4-6-7-8-9-10-11-12-13-17(5-2)15-21(19,20)16(3)14-18/h16-18H,4-15H2,1-3H3
InChIKeyYMSOCGDOPIZZSA-UHFFFAOYSA-N
MW320.54 g/mol
LogP4.34
Rot. Bonds14

About 2-(2-ethyldodecylsulfonyl)propan-1-ol

2-(2-ethyldodecylsulfonyl)propan-1-ol (PubChem CID 23338537) has the molecular formula C17H36O3S and a molecular weight of 320.54 g/mol. Its IUPAC name is 2-(2-ethyldodecylsulfonyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-ethyldodecylsulfonyl)propan-1-ol
PubChem CID23338537
Molecular FormulaC17H36O3S
Molecular Weight320.54 g/mol
Exact Mass320.24
IUPAC Name2-(2-ethyldodecylsulfonyl)propan-1-ol
SMILESCCCCCCCCCCC(CC)CS(=O)(=O)C(C)CO
InChIInChI=1S/C17H36O3S/c1-4-6-7-8-9-10-11-12-13-17(5-2)15-21(19,20)16(3)14-18/h16-18H,4-15H2,1-3H3
InChIKeyYMSOCGDOPIZZSA-UHFFFAOYSA-N
XLogP4.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 54.34
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-ethyldodecylsulfonyl)propan-1-ol?
The IUPAC name of 2-(2-ethyldodecylsulfonyl)propan-1-ol (CID 23338537) is 2-(2-ethyldodecylsulfonyl)propan-1-ol.
What is the SMILES notation for 2-(2-ethyldodecylsulfonyl)propan-1-ol?
The canonical SMILES for 2-(2-ethyldodecylsulfonyl)propan-1-ol is CCCCCCCCCCC(CC)CS(=O)(=O)C(C)CO.
What is the InChIKey of 2-(2-ethyldodecylsulfonyl)propan-1-ol?
The InChIKey is YMSOCGDOPIZZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3S/c1-4-6-7-8-9-10-11-12-13-17(5-2)15-21(19,20)16(3)14-18/h16-18H,4-15H2,1-3H3.
What are the key properties of 2-(2-ethyldodecylsulfonyl)propan-1-ol?
2-(2-ethyldodecylsulfonyl)propan-1-ol has a molecular weight of 320.54 g/mol, XLogP of 4.34, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyldodecylsulfonyl)propan-1-ol is sourced from PubChem (CID 23338537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).