5-methylsulfonylpentan-1-ol

C6H14O3S — CID 23028699

IUPAC5-methylsulfonylpentan-1-ol
SMILESCS(=O)(=O)CCCCCO
InChIInChI=1S/C6H14O3S/c1-10(8,9)6-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyGYWGTIUZWRJGPS-UHFFFAOYSA-N
MW166.24 g/mol
LogP0.19
Rot. Bonds5

About 5-methylsulfonylpentan-1-ol

5-methylsulfonylpentan-1-ol (PubChem CID 23028699) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is 5-methylsulfonylpentan-1-ol.

Molecular Properties

Compound Name5-methylsulfonylpentan-1-ol
PubChem CID23028699
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Name5-methylsulfonylpentan-1-ol
SMILESCS(=O)(=O)CCCCCO
InChIInChI=1S/C6H14O3S/c1-10(8,9)6-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyGYWGTIUZWRJGPS-UHFFFAOYSA-N
XLogP0.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.19
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 5-methylsulfonylpentan-1-ol?
The IUPAC name of 5-methylsulfonylpentan-1-ol (CID 23028699) is 5-methylsulfonylpentan-1-ol.
What is the SMILES notation for 5-methylsulfonylpentan-1-ol?
The canonical SMILES for 5-methylsulfonylpentan-1-ol is CS(=O)(=O)CCCCCO.
What is the InChIKey of 5-methylsulfonylpentan-1-ol?
The InChIKey is GYWGTIUZWRJGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c1-10(8,9)6-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of 5-methylsulfonylpentan-1-ol?
5-methylsulfonylpentan-1-ol has a molecular weight of 166.24 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonylpentan-1-ol is sourced from PubChem (CID 23028699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).