2-hexadecan-5-ylsulfinylethanol

C18H38O2S — CID 23338530

IUPAC2-hexadecan-5-ylsulfinylethanol
SMILESCCCCCCCCCCCC(CCCC)S(=O)CCO
InChIInChI=1S/C18H38O2S/c1-3-5-7-8-9-10-11-12-13-15-18(14-6-4-2)21(20)17-16-19/h18-19H,3-17H2,1-2H3
InChIKeyOKGHEHHYGPLEDE-UHFFFAOYSA-N
MW318.57 g/mol
LogP5.21
Rot. Bonds16

About 2-hexadecan-5-ylsulfinylethanol

2-hexadecan-5-ylsulfinylethanol (PubChem CID 23338530) has the molecular formula C18H38O2S and a molecular weight of 318.57 g/mol. Its IUPAC name is 2-hexadecan-5-ylsulfinylethanol.

Molecular Properties

Compound Name2-hexadecan-5-ylsulfinylethanol
PubChem CID23338530
Molecular FormulaC18H38O2S
Molecular Weight318.57 g/mol
Exact Mass318.26
IUPAC Name2-hexadecan-5-ylsulfinylethanol
SMILESCCCCCCCCCCCC(CCCC)S(=O)CCO
InChIInChI=1S/C18H38O2S/c1-3-5-7-8-9-10-11-12-13-15-18(14-6-4-2)21(20)17-16-19/h18-19H,3-17H2,1-2H3
InChIKeyOKGHEHHYGPLEDE-UHFFFAOYSA-N
XLogP5.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.57
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hexadecan-5-ylsulfinylethanol 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

decane-4-sulfinic acid
CID 57421684
2-icosan-3-ylsulfinylbutan-1-ol
CID 23338529
tridecane-6,8-disulfinic acid
CID 57035995
3-butyldodecan-1-ol
CID 118576685
3-butylundecan-1-ol
CID 13109026
methyl tridecane-6-sulfinate
CID 134426825
3-methylsulfinyloctane
CID 90756685
9-polanylicosan-1-ol
CID 175323783
3-tridecylsulfinyldecan-2-ol
CID 173314811
1-hydroperoxyheptadecane-9-sulfinic acid
CID 129212318
2-pentylsulfinylnonanamide
CID 87719790
4-hexyldodecan-1-ol
CID 23212981

Frequently Asked Questions

What is the IUPAC name of 2-hexadecan-5-ylsulfinylethanol?
The IUPAC name of 2-hexadecan-5-ylsulfinylethanol (CID 23338530) is 2-hexadecan-5-ylsulfinylethanol.
What is the SMILES notation for 2-hexadecan-5-ylsulfinylethanol?
The canonical SMILES for 2-hexadecan-5-ylsulfinylethanol is CCCCCCCCCCCC(CCCC)S(=O)CCO.
What is the InChIKey of 2-hexadecan-5-ylsulfinylethanol?
The InChIKey is OKGHEHHYGPLEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2S/c1-3-5-7-8-9-10-11-12-13-15-18(14-6-4-2)21(20)17-16-19/h18-19H,3-17H2,1-2H3.
What are the key properties of 2-hexadecan-5-ylsulfinylethanol?
2-hexadecan-5-ylsulfinylethanol has a molecular weight of 318.57 g/mol, XLogP of 5.21, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecan-5-ylsulfinylethanol is sourced from PubChem (CID 23338530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).