cyclohexanol;methanesulfonic acid

C7H16O4S — CID 87594838

IUPACcyclohexanol;methanesulfonic acid
SMILESCS(=O)(=O)O.OC1CCCCC1
InChIInChI=1S/C6H12O.CH4O3S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h6-7H,1-5H2;1H3,(H,2,3,4)
InChIKeyJYWZEHIOJREJHA-UHFFFAOYSA-N
MW196.27 g/mol
LogP0.82
Rot. Bonds

About cyclohexanol;methanesulfonic acid

cyclohexanol;methanesulfonic acid (PubChem CID 87594838) has the molecular formula C7H16O4S and a molecular weight of 196.27 g/mol. Its IUPAC name is cyclohexanol;methanesulfonic acid.

Molecular Properties

Compound Namecyclohexanol;methanesulfonic acid
PubChem CID87594838
Molecular FormulaC7H16O4S
Molecular Weight196.27 g/mol
Exact Mass196.08
IUPAC Namecyclohexanol;methanesulfonic acid
SMILESCS(=O)(=O)O.OC1CCCCC1
InChIInChI=1S/C6H12O.CH4O3S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h6-7H,1-5H2;1H3,(H,2,3,4)
InChIKeyJYWZEHIOJREJHA-UHFFFAOYSA-N
XLogP0.82
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexanol;methanesulfonic acid?
The IUPAC name of cyclohexanol;methanesulfonic acid (CID 87594838) is cyclohexanol;methanesulfonic acid.
What is the SMILES notation for cyclohexanol;methanesulfonic acid?
The canonical SMILES for cyclohexanol;methanesulfonic acid is CS(=O)(=O)O.OC1CCCCC1.
What is the InChIKey of cyclohexanol;methanesulfonic acid?
The InChIKey is JYWZEHIOJREJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.CH4O3S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h6-7H,1-5H2;1H3,(H,2,3,4).
What are the key properties of cyclohexanol;methanesulfonic acid?
cyclohexanol;methanesulfonic acid has a molecular weight of 196.27 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;methanesulfonic acid is sourced from PubChem (CID 87594838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).