5-ethylsulfonylpentan-1-ol

C7H16O3S — CID 62353355

IUPAC5-ethylsulfonylpentan-1-ol
SMILESCCS(=O)(=O)CCCCCO
InChIInChI=1S/C7H16O3S/c1-2-11(9,10)7-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyWRNRPFNFBVXOKS-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.58
Rot. Bonds6

About 5-ethylsulfonylpentan-1-ol

5-ethylsulfonylpentan-1-ol (PubChem CID 62353355) has the molecular formula C7H16O3S and a molecular weight of 180.27 g/mol. Its IUPAC name is 5-ethylsulfonylpentan-1-ol.

Molecular Properties

Compound Name5-ethylsulfonylpentan-1-ol
PubChem CID62353355
Molecular FormulaC7H16O3S
Molecular Weight180.27 g/mol
Exact Mass180.08
IUPAC Name5-ethylsulfonylpentan-1-ol
SMILESCCS(=O)(=O)CCCCCO
InChIInChI=1S/C7H16O3S/c1-2-11(9,10)7-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyWRNRPFNFBVXOKS-UHFFFAOYSA-N
XLogP0.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.58
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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Related Compounds

7-(7-hydroxyheptylsulfonyl)heptan-1-ol
CID 151404373
4-(4-hydroxybutylsulfonyl)butan-1-ol
CID 14454817
1,6-bis(ethylsulfonyl)hexane
CID 54565943
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018
4-butylsulfonylbutan-1-ol
CID 12943305
1-ethylsulfonylheptane
CID 19089519
octylsulfonylmethanol
CID 71381698
5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride
CID 170915824
18-hydroxyoctadecane-1-sulfonic acid
CID 22372907
16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
5-ethylsulfonylpentan-1-amine
CID 54172156

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonylpentan-1-ol?
The IUPAC name of 5-ethylsulfonylpentan-1-ol (CID 62353355) is 5-ethylsulfonylpentan-1-ol.
What is the SMILES notation for 5-ethylsulfonylpentan-1-ol?
The canonical SMILES for 5-ethylsulfonylpentan-1-ol is CCS(=O)(=O)CCCCCO.
What is the InChIKey of 5-ethylsulfonylpentan-1-ol?
The InChIKey is WRNRPFNFBVXOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3S/c1-2-11(9,10)7-5-3-4-6-8/h8H,2-7H2,1H3.
What are the key properties of 5-ethylsulfonylpentan-1-ol?
5-ethylsulfonylpentan-1-ol has a molecular weight of 180.27 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonylpentan-1-ol is sourced from PubChem (CID 62353355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).