[(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid

C10H18O4S — CID 167276845

IUPAC[(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid
SMILESCC1CC(=O)[C@@](C)(CS(=O)(=O)O)C1(C)C
InChIInChI=1S/C10H18O4S/c1-7-5-8(11)10(4,9(7,2)3)6-15(12,13)14/h7H,5-6H2,1-4H3,(H,12,13,14)/t7?,10-/m1/s1
InChIKeyCBVGLPOIKNJMQY-OMNKOJBGSA-N
MW234.32 g/mol
LogP1.52
Rot. Bonds2

About [(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid

[(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid (PubChem CID 167276845) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is [(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid.

Molecular Properties

Compound Name[(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid
PubChem CID167276845
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name[(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid
SMILESCC1CC(=O)[C@@](C)(CS(=O)(=O)O)C1(C)C
InChIInChI=1S/C10H18O4S/c1-7-5-8(11)10(4,9(7,2)3)6-15(12,13)14/h7H,5-6H2,1-4H3,(H,12,13,14)/t7?,10-/m1/s1
InChIKeyCBVGLPOIKNJMQY-OMNKOJBGSA-N
XLogP1.52
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

D-Camphorsulfonic Acid
CID 65617
Camphorsulfonic acid, (-)-
CID 5771688
Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-
CID 18462
(1S)-(+)-Camphor-10-sulphonic acid
CID 218580
(R)-camphorsulfonic acid
CID 131278
Camphorquinone-10-sulfonic acid
CID 189789
(1S)-(+)-camphor-10-sulfonic acid monohydrate
CID 12265361
{7,7-Dimethyl-2,3-dioxobicyclo[2.2.1]heptan-1-YL}methanesulfonic acid
CID 2921464
d10-Camphorsulfonic acid
CID 129831758
Calcium;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid
CID 54598407
Azane;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid
CID 13574732
1,1-Difluoro-2-[(1,2,2,3-tetramethyl-5-oxocyclopentyl)methylsulfonyloxy]ethanesulfonic acid
CID 89357243

Frequently Asked Questions

What is the IUPAC name of [(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid?
The IUPAC name of [(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid (CID 167276845) is [(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid.
What is the SMILES notation for [(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid?
The canonical SMILES for [(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid is CC1CC(=O)[C@@](C)(CS(=O)(=O)O)C1(C)C.
What is the InChIKey of [(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid?
The InChIKey is CBVGLPOIKNJMQY-OMNKOJBGSA-N. The full InChI is InChI=1S/C10H18O4S/c1-7-5-8(11)10(4,9(7,2)3)6-15(12,13)14/h7H,5-6H2,1-4H3,(H,12,13,14)/t7?,10-/m1/s1.
What are the key properties of [(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid?
[(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid has a molecular weight of 234.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1,2,2,3-tetramethyl-5-oxocyclopentyl]methanesulfonic acid is sourced from PubChem (CID 167276845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).