1-hydroxy-3-methoxycyclobutane-1-sulfonic acid

C5H10O5S — CID 106823094

IUPAC1-hydroxy-3-methoxycyclobutane-1-sulfonic acid
SMILESCOC1CC(O)(S(=O)(=O)O)C1
InChIInChI=1S/C5H10O5S/c1-10-4-2-5(6,3-4)11(7,8)9/h4,6H,2-3H2,1H3,(H,7,8,9)
InChIKeyJEULHVPGMJTENA-UHFFFAOYSA-N
MW182.20 g/mol
LogP-0.63
Rot. Bonds2

About 1-hydroxy-3-methoxycyclobutane-1-sulfonic acid

1-hydroxy-3-methoxycyclobutane-1-sulfonic acid (PubChem CID 106823094) has the molecular formula C5H10O5S and a molecular weight of 182.20 g/mol. Its IUPAC name is 1-hydroxy-3-methoxycyclobutane-1-sulfonic acid.

Molecular Properties

Compound Name1-hydroxy-3-methoxycyclobutane-1-sulfonic acid
PubChem CID106823094
Molecular FormulaC5H10O5S
Molecular Weight182.20 g/mol
Exact Mass182.02
IUPAC Name1-hydroxy-3-methoxycyclobutane-1-sulfonic acid
SMILESCOC1CC(O)(S(=O)(=O)O)C1
InChIInChI=1S/C5H10O5S/c1-10-4-2-5(6,3-4)11(7,8)9/h4,6H,2-3H2,1H3,(H,7,8,9)
InChIKeyJEULHVPGMJTENA-UHFFFAOYSA-N
XLogP-0.63
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-sulfonic acid
CID 103574162
1,3,5-trihydroxycyclohexane-1,3,5-trisulfonic acid
CID 14112809
3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol
CID 130640761
2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile
CID 106824751
2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid
CID 106824095
3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol
CID 106823575
1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid
CID 106822740
(5-methoxyspiro[2.3]hexan-2-yl)methanamine
CID 106824122
methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate
CID 106824169
ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate
CID 106824103
(2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid
CID 98041240
1-[(cyclopropylamino)methyl]-3-methoxycyclobutan-1-ol
CID 106824204

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methoxycyclobutane-1-sulfonic acid?
The IUPAC name of 1-hydroxy-3-methoxycyclobutane-1-sulfonic acid (CID 106823094) is 1-hydroxy-3-methoxycyclobutane-1-sulfonic acid.
What is the SMILES notation for 1-hydroxy-3-methoxycyclobutane-1-sulfonic acid?
The canonical SMILES for 1-hydroxy-3-methoxycyclobutane-1-sulfonic acid is COC1CC(O)(S(=O)(=O)O)C1.
What is the InChIKey of 1-hydroxy-3-methoxycyclobutane-1-sulfonic acid?
The InChIKey is JEULHVPGMJTENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5S/c1-10-4-2-5(6,3-4)11(7,8)9/h4,6H,2-3H2,1H3,(H,7,8,9).
What are the key properties of 1-hydroxy-3-methoxycyclobutane-1-sulfonic acid?
1-hydroxy-3-methoxycyclobutane-1-sulfonic acid has a molecular weight of 182.20 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methoxycyclobutane-1-sulfonic acid is sourced from PubChem (CID 106823094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).