2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol

C19H38O3S — CID 23338531

IUPAC2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol
SMILESCCCCCCCCCCCCCC/C=C/S(=O)(=O)C(C)CO
InChIInChI=1S/C19H38O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(21,22)19(2)18-20/h16-17,19-20H,3-15,18H2,1-2H3/b17-16+
InChIKeyOGYLMTVDTUGWHW-WUKNDPDISA-N
MW346.58 g/mol
LogP5.39
Rot. Bonds16

About 2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol

2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol (PubChem CID 23338531) has the molecular formula C19H38O3S and a molecular weight of 346.58 g/mol. Its IUPAC name is 2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol.

Molecular Properties

Compound Name2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol
PubChem CID23338531
Molecular FormulaC19H38O3S
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Name2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol
SMILESCCCCCCCCCCCCCC/C=C/S(=O)(=O)C(C)CO
InChIInChI=1S/C19H38O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(21,22)19(2)18-20/h16-17,19-20H,3-15,18H2,1-2H3/b17-16+
InChIKeyOGYLMTVDTUGWHW-WUKNDPDISA-N
XLogP5.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.58
LogP ≤ 55.39
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-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol?
The IUPAC name of 2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol (CID 23338531) is 2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol.
What is the SMILES notation for 2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol?
The canonical SMILES for 2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol is CCCCCCCCCCCCCC/C=C/S(=O)(=O)C(C)CO.
What is the InChIKey of 2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol?
The InChIKey is OGYLMTVDTUGWHW-WUKNDPDISA-N. The full InChI is InChI=1S/C19H38O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(21,22)19(2)18-20/h16-17,19-20H,3-15,18H2,1-2H3/b17-16+.
What are the key properties of 2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol?
2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol has a molecular weight of 346.58 g/mol, XLogP of 5.39, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hexadec-1-enyl]sulfonylpropan-1-ol is sourced from PubChem (CID 23338531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).