4-(4-hydroxybutylsulfonyl)butan-1-ol

C8H18O4S — CID 14454817

IUPAC4-(4-hydroxybutylsulfonyl)butan-1-ol
SMILESO=S(=O)(CCCCO)CCCCO
InChIInChI=1S/C8H18O4S/c9-5-1-3-7-13(11,12)8-4-2-6-10/h9-10H,1-8H2
InChIKeyRVNKOXGKAIMEBG-UHFFFAOYSA-N
MW210.29 g/mol
LogP-0.05
Rot. Bonds8

About 4-(4-hydroxybutylsulfonyl)butan-1-ol

4-(4-hydroxybutylsulfonyl)butan-1-ol (PubChem CID 14454817) has the molecular formula C8H18O4S and a molecular weight of 210.29 g/mol. Its IUPAC name is 4-(4-hydroxybutylsulfonyl)butan-1-ol.

Molecular Properties

Compound Name4-(4-hydroxybutylsulfonyl)butan-1-ol
PubChem CID14454817
Molecular FormulaC8H18O4S
Molecular Weight210.29 g/mol
Exact Mass210.09
IUPAC Name4-(4-hydroxybutylsulfonyl)butan-1-ol
SMILESO=S(=O)(CCCCO)CCCCO
InChIInChI=1S/C8H18O4S/c9-5-1-3-7-13(11,12)8-4-2-6-10/h9-10H,1-8H2
InChIKeyRVNKOXGKAIMEBG-UHFFFAOYSA-N
XLogP-0.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-butylsulfonylbutan-1-ol
CID 12943305
5-ethylsulfonylpentan-1-ol
CID 62353355
5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride
CID 170915824
3-(5-aminopentylsulfonyl)propan-1-ol
CID 170915360
4-hydroxybutane-1-sulfonamide
CID 21436386
18-hydroxyoctadecane-1-sulfonic acid
CID 22372907
16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
2-(6-aminohexylsulfonyl)ethanol
CID 170917653
zinc bis(4-hydroxybutane-1-sulfonate)
CID 88712471
sodium 16-hydroxyhexadecane-1-sulfonate
CID 87381218
sodium 12-hydroxydodecane-1-sulfonate
CID 87381250

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutylsulfonyl)butan-1-ol?
The IUPAC name of 4-(4-hydroxybutylsulfonyl)butan-1-ol (CID 14454817) is 4-(4-hydroxybutylsulfonyl)butan-1-ol.
What is the SMILES notation for 4-(4-hydroxybutylsulfonyl)butan-1-ol?
The canonical SMILES for 4-(4-hydroxybutylsulfonyl)butan-1-ol is O=S(=O)(CCCCO)CCCCO.
What is the InChIKey of 4-(4-hydroxybutylsulfonyl)butan-1-ol?
The InChIKey is RVNKOXGKAIMEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4S/c9-5-1-3-7-13(11,12)8-4-2-6-10/h9-10H,1-8H2.
What are the key properties of 4-(4-hydroxybutylsulfonyl)butan-1-ol?
4-(4-hydroxybutylsulfonyl)butan-1-ol has a molecular weight of 210.29 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutylsulfonyl)butan-1-ol is sourced from PubChem (CID 14454817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).