3-undecylsulfonyldecan-2-ol

C21H44O3S — CID 173314818

IUPAC3-undecylsulfonyldecan-2-ol
SMILESCCCCCCCCCCCS(=O)(=O)C(CCCCCCC)C(C)O
InChIInChI=1S/C21H44O3S/c1-4-6-8-10-11-12-13-15-17-19-25(23,24)21(20(3)22)18-16-14-9-7-5-2/h20-22H,4-19H2,1-3H3
InChIKeyARZXOGOFAVDPMF-UHFFFAOYSA-N
MW376.65 g/mol
LogP6.04
Rot. Bonds18

About 3-undecylsulfonyldecan-2-ol

3-undecylsulfonyldecan-2-ol (PubChem CID 173314818) has the molecular formula C21H44O3S and a molecular weight of 376.65 g/mol. Its IUPAC name is 3-undecylsulfonyldecan-2-ol.

Molecular Properties

Compound Name3-undecylsulfonyldecan-2-ol
PubChem CID173314818
Molecular FormulaC21H44O3S
Molecular Weight376.65 g/mol
Exact Mass376.30
IUPAC Name3-undecylsulfonyldecan-2-ol
SMILESCCCCCCCCCCCS(=O)(=O)C(CCCCCCC)C(C)O
InChIInChI=1S/C21H44O3S/c1-4-6-8-10-11-12-13-15-17-19-25(23,24)21(20(3)22)18-16-14-9-7-5-2/h20-22H,4-19H2,1-3H3
InChIKeyARZXOGOFAVDPMF-UHFFFAOYSA-N
XLogP6.04
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.65
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-undecylsulfonyldecan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-propan-2-ylsulfonylhexane
CID 59079246
3-(3-undecylsulfonyldecan-2-yloxy)propyl dihydrogen phosphate
CID 142941546
3-(3-dodecylsulfonyldecan-2-yloxy)propyl dihydrogen phosphate
CID 142941551
2-octylsulfonylpropanoate
CID 57360053
2-octadecylsulfonylpropanoic acid
CID 22623737
1-butylsulfonylethanol
CID 57246479
3-dodecylsulfonyldecan-2-ylperoxycarbonyl(propoxy)phosphinic acid
CID 23284318
heptane;propan-2-ol;sulfuric acid
CID 87329461
1-pentan-3-ylsulfonyldodecane
CID 90977253
1-butan-2-ylsulfonylpentane
CID 159645630
3-aminoicosan-2-ol
CID 19964089
dodecane-3,4-disulfonic acid
CID 90992683

Frequently Asked Questions

What is the IUPAC name of 3-undecylsulfonyldecan-2-ol?
The IUPAC name of 3-undecylsulfonyldecan-2-ol (CID 173314818) is 3-undecylsulfonyldecan-2-ol.
What is the SMILES notation for 3-undecylsulfonyldecan-2-ol?
The canonical SMILES for 3-undecylsulfonyldecan-2-ol is CCCCCCCCCCCS(=O)(=O)C(CCCCCCC)C(C)O.
What is the InChIKey of 3-undecylsulfonyldecan-2-ol?
The InChIKey is ARZXOGOFAVDPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3S/c1-4-6-8-10-11-12-13-15-17-19-25(23,24)21(20(3)22)18-16-14-9-7-5-2/h20-22H,4-19H2,1-3H3.
What are the key properties of 3-undecylsulfonyldecan-2-ol?
3-undecylsulfonyldecan-2-ol has a molecular weight of 376.65 g/mol, XLogP of 6.04, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undecylsulfonyldecan-2-ol is sourced from PubChem (CID 173314818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).