bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid

C8H16O4S — CID 57358132

IUPACbicyclo[2.2.1]heptan-2-ol;methanesulfonic acid
SMILESCS(=O)(=O)O.OC1CC2CCC1C2
InChIInChI=1S/C7H12O.CH4O3S/c8-7-4-5-1-2-6(7)3-5;1-5(2,3)4/h5-8H,1-4H2;1H3,(H,2,3,4)
InChIKeyRPHQGBQSDRODHO-UHFFFAOYSA-N
MW208.28 g/mol
LogP0.67
Rot. Bonds

About bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid

bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid (PubChem CID 57358132) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid.

Molecular Properties

Compound Namebicyclo[2.2.1]heptan-2-ol;methanesulfonic acid
PubChem CID57358132
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Namebicyclo[2.2.1]heptan-2-ol;methanesulfonic acid
SMILESCS(=O)(=O)O.OC1CC2CCC1C2
InChIInChI=1S/C7H12O.CH4O3S/c8-7-4-5-1-2-6(7)3-5;1-5(2,3)4/h5-8H,1-4H2;1H3,(H,2,3,4)
InChIKeyRPHQGBQSDRODHO-UHFFFAOYSA-N
XLogP0.67
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.67
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 bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid?
The IUPAC name of bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid (CID 57358132) is bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid.
What is the SMILES notation for bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid?
The canonical SMILES for bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid is CS(=O)(=O)O.OC1CC2CCC1C2.
What is the InChIKey of bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid?
The InChIKey is RPHQGBQSDRODHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.CH4O3S/c8-7-4-5-1-2-6(7)3-5;1-5(2,3)4/h5-8H,1-4H2;1H3,(H,2,3,4).
What are the key properties of bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid?
bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid has a molecular weight of 208.28 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid is sourced from PubChem (CID 57358132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).