2-cyclohexylethanol;methanesulfonic acid

C9H20O4S — CID 71401892

IUPAC2-cyclohexylethanol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCCC1CCCCC1
InChIInChI=1S/C8H16O.CH4O3S/c9-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h8-9H,1-7H2;1H3,(H,2,3,4)
InChIKeyCQYYJFNIJYPUEB-UHFFFAOYSA-N
MW224.32 g/mol
LogP1.45
Rot. Bonds2

About 2-cyclohexylethanol;methanesulfonic acid

2-cyclohexylethanol;methanesulfonic acid (PubChem CID 71401892) has the molecular formula C9H20O4S and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-cyclohexylethanol;methanesulfonic acid.

Molecular Properties

Compound Name2-cyclohexylethanol;methanesulfonic acid
PubChem CID71401892
Molecular FormulaC9H20O4S
Molecular Weight224.32 g/mol
Exact Mass224.11
IUPAC Name2-cyclohexylethanol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCCC1CCCCC1
InChIInChI=1S/C8H16O.CH4O3S/c9-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h8-9H,1-7H2;1H3,(H,2,3,4)
InChIKeyCQYYJFNIJYPUEB-UHFFFAOYSA-N
XLogP1.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.45
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 2-cyclohexylethanol;methanesulfonic acid?
The IUPAC name of 2-cyclohexylethanol;methanesulfonic acid (CID 71401892) is 2-cyclohexylethanol;methanesulfonic acid.
What is the SMILES notation for 2-cyclohexylethanol;methanesulfonic acid?
The canonical SMILES for 2-cyclohexylethanol;methanesulfonic acid is CS(=O)(=O)O.OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethanol;methanesulfonic acid?
The InChIKey is CQYYJFNIJYPUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.CH4O3S/c9-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h8-9H,1-7H2;1H3,(H,2,3,4).
What are the key properties of 2-cyclohexylethanol;methanesulfonic acid?
2-cyclohexylethanol;methanesulfonic acid has a molecular weight of 224.32 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethanol;methanesulfonic acid is sourced from PubChem (CID 71401892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).