chempirical

1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione

C10H14O3CAS 595-30-2182.22 g/mol

Open in Covalent MOL file
OOO
Acid anhydride

Properties

Molecular formula
C10H14O3
Molar mass
182.22 g/mol
Exact mass
182.0943 Da
Melting point
218–219 °C
logP
1.51Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
595-30-2
SMILES
CC12CCC(C(=O)OC1=O)C2(C)C
InChIKey
VFZDNKRDYPTSTP-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O3/c1-9(2)6-4-5-10(9,3)8(12)13-7(6)11/h6H,4-5H2,1-3H3

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Names and synonyms

7 names
  • 3-Oxabicyclo[3.2.1]octane-2,4-dione, 1,8,8-trimethyl-
  • Camphoric anhydride
  • (±)-Camphoric anhydride
  • Dl-Camphoric anhydride
  • NSC 4559
  • NSC 60293
  • NSC 657821

Work with 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione76-32-4100 % similar (-)-Camphorquinone10334-26-649 % similar Camphorquinone10373-78-149 % similar (+)-Camphorquinone2767-84-249 % similar Camphorquinone465-29-249 % similar D-Camphoric acid124-83-444 % similar Camphoric acid560-09-844 % similar (±)-Camphor21368-68-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,1-Cyclohexane diacetic anhydride1010-26-0 3-(Benzyloxy)-1,2-propanediol13071-59-5 Vanillyl ethyl ether13184-86-6 2-(Phenylmethoxy)-1,3-propanediol14690-00-7 (-)-3-Benzyloxy-1,2-propanediol17325-85-8 Anisaldehyde dimethyl acetal2186-92-7 Dihydroconiferyl alcohol2305-13-7 Furfuryl pentanoate36701-01-6

Elsewhere

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