7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one

C11H18O3S — CID 23379922

IUPAC7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CCC1(CS(C)(=O)=O)C(=O)C2
InChIInChI=1S/C11H18O3S/c1-10(2)8-4-5-11(10,9(12)6-8)7-15(3,13)14/h8H,4-7H2,1-3H3
InChIKeyOCJVOSWGEQJPQX-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.43
Rot. Bonds2

About 7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one

7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 23379922) has the molecular formula C11H18O3S and a molecular weight of 230.33 g/mol. Its IUPAC name is 7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one
PubChem CID23379922
Molecular FormulaC11H18O3S
Molecular Weight230.33 g/mol
Exact Mass230.10
IUPAC Name7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CCC1(CS(C)(=O)=O)C(=O)C2
InChIInChI=1S/C11H18O3S/c1-10(2)8-4-5-11(10,9(12)6-8)7-15(3,13)14/h8H,4-7H2,1-3H3
InChIKeyOCJVOSWGEQJPQX-UHFFFAOYSA-N
XLogP1.43
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

D-Camphorsulfonic Acid
CID 65617
Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-
CID 18462
Sodium camphorsulfonate
CID 23692755
10-Camphorsulfonyl chloride
CID 265799
Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, sodium salt (1:1)
CID 23686666
Camphor-10-sulfonyl chloride
CID 88856
Camphorsulfonic acid, (-)-
CID 5771688
(1S)-(+)-Camphor-10-sulphonic acid
CID 218580
(R)-camphorsulfonic acid
CID 131278
10-Bornanesulfonamide, 2-oxo-, (+-)-
CID 573110
((1R,4S)-7,7-Dimethyl-2-oxobicyclo(2.2.1)heptan-1-yl)methanesulfonyl chloride
CID 9816396
Methyl 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonate
CID 261504

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one (CID 23379922) is 7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one is CC1(C)C2CCC1(CS(C)(=O)=O)C(=O)C2.
What is the InChIKey of 7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is OCJVOSWGEQJPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S/c1-10(2)8-4-5-11(10,9(12)6-8)7-15(3,13)14/h8H,4-7H2,1-3H3.
What are the key properties of 7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one?
7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 230.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 23379922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).