2-[(Z)-octadec-9-enyl]sulfonylethanol

C20H40O3S — CID 51032742

IUPAC2-[(Z)-octadec-9-enyl]sulfonylethanol
SMILESCCCCCCCC/C=C\CCCCCCCCS(=O)(=O)CCO
InChIInChI=1S/C20H40O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(22,23)20-18-21/h9-10,21H,2-8,11-20H2,1H3/b10-9-
InChIKeyWDYZZMVLZWPCLZ-KTKRTIGZSA-N
MW360.60 g/mol
LogP5.43
Rot. Bonds18

About 2-[(Z)-octadec-9-enyl]sulfonylethanol

2-[(Z)-octadec-9-enyl]sulfonylethanol (PubChem CID 51032742) has the molecular formula C20H40O3S and a molecular weight of 360.60 g/mol. Its IUPAC name is 2-[(Z)-octadec-9-enyl]sulfonylethanol.

Molecular Properties

Compound Name2-[(Z)-octadec-9-enyl]sulfonylethanol
PubChem CID51032742
Molecular FormulaC20H40O3S
Molecular Weight360.60 g/mol
Exact Mass360.27
IUPAC Name2-[(Z)-octadec-9-enyl]sulfonylethanol
SMILESCCCCCCCC/C=C\CCCCCCCCS(=O)(=O)CCO
InChIInChI=1S/C20H40O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(22,23)20-18-21/h9-10,21H,2-8,11-20H2,1H3/b10-9-
InChIKeyWDYZZMVLZWPCLZ-KTKRTIGZSA-N
XLogP5.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.60
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(Z)-octadec-9-enyl]sulfonylethanol 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-[(Z)-octadec-9-enyl]sulfonylethanol?
The IUPAC name of 2-[(Z)-octadec-9-enyl]sulfonylethanol (CID 51032742) is 2-[(Z)-octadec-9-enyl]sulfonylethanol.
What is the SMILES notation for 2-[(Z)-octadec-9-enyl]sulfonylethanol?
The canonical SMILES for 2-[(Z)-octadec-9-enyl]sulfonylethanol is CCCCCCCC/C=C\CCCCCCCCS(=O)(=O)CCO.
What is the InChIKey of 2-[(Z)-octadec-9-enyl]sulfonylethanol?
The InChIKey is WDYZZMVLZWPCLZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H40O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(22,23)20-18-21/h9-10,21H,2-8,11-20H2,1H3/b10-9-.
What are the key properties of 2-[(Z)-octadec-9-enyl]sulfonylethanol?
2-[(Z)-octadec-9-enyl]sulfonylethanol has a molecular weight of 360.60 g/mol, XLogP of 5.43, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-octadec-9-enyl]sulfonylethanol is sourced from PubChem (CID 51032742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).