2-(2-ethyldodecylsulfinyl)ethanol

C16H34O2S — CID 54399820

IUPAC2-(2-ethyldodecylsulfinyl)ethanol
SMILESCCCCCCCCCCC(CC)CS(=O)CCO
InChIInChI=1S/C16H34O2S/c1-3-5-6-7-8-9-10-11-12-16(4-2)15-19(18)14-13-17/h16-17H,3-15H2,1-2H3
InChIKeyVMPKRBCLEYERGQ-UHFFFAOYSA-N
MW290.51 g/mol
LogP4.28
Rot. Bonds14

About 2-(2-ethyldodecylsulfinyl)ethanol

2-(2-ethyldodecylsulfinyl)ethanol (PubChem CID 54399820) has the molecular formula C16H34O2S and a molecular weight of 290.51 g/mol. Its IUPAC name is 2-(2-ethyldodecylsulfinyl)ethanol.

Molecular Properties

Compound Name2-(2-ethyldodecylsulfinyl)ethanol
PubChem CID54399820
Molecular FormulaC16H34O2S
Molecular Weight290.51 g/mol
Exact Mass290.23
IUPAC Name2-(2-ethyldodecylsulfinyl)ethanol
SMILESCCCCCCCCCCC(CC)CS(=O)CCO
InChIInChI=1S/C16H34O2S/c1-3-5-6-7-8-9-10-11-12-16(4-2)15-19(18)14-13-17/h16-17H,3-15H2,1-2H3
InChIKeyVMPKRBCLEYERGQ-UHFFFAOYSA-N
XLogP4.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-ethyldodecylsulfinyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyldodecylsulfinyl)ethanol?
The IUPAC name of 2-(2-ethyldodecylsulfinyl)ethanol (CID 54399820) is 2-(2-ethyldodecylsulfinyl)ethanol.
What is the SMILES notation for 2-(2-ethyldodecylsulfinyl)ethanol?
The canonical SMILES for 2-(2-ethyldodecylsulfinyl)ethanol is CCCCCCCCCCC(CC)CS(=O)CCO.
What is the InChIKey of 2-(2-ethyldodecylsulfinyl)ethanol?
The InChIKey is VMPKRBCLEYERGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2S/c1-3-5-6-7-8-9-10-11-12-16(4-2)15-19(18)14-13-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-(2-ethyldodecylsulfinyl)ethanol?
2-(2-ethyldodecylsulfinyl)ethanol has a molecular weight of 290.51 g/mol, XLogP of 4.28, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyldodecylsulfinyl)ethanol is sourced from PubChem (CID 54399820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).