(+)-Alpha-Cyperone

C15H22OCAS 473-08-5218.34 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C15H22O
Molar mass
218.34 g/mol
Exact mass
218.1671 Da
Density
0.9946 g/mL (at 25 °C)
Melting point
232 °C
Boiling point
177 °C (at 20 Torr)
logP
4.05Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
473-08-5
SMILES
C=C(C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1
InChIKey
KUFXJZXMWHNCEH-DOMZBBRYSA-N
InChI
InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15+/m1/s1

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Names and synonyms

7 names
  • (+)-α-Cyperone
  • 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS,7R)-
  • α-Cyperone
  • Eudesma-4,11-dien-3-one
  • 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS-cis)-
  • (4aS,7R)-4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenone
  • α-Cyperone, (+)-

Work with (+)-Alpha-Cyperone

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

(+)-Dihydrocarvone5524-05-036 % similar (+)-Carvone2244-16-835 % similar (-)-Carvone6485-40-135 % similar Carvone99-49-035 % similar (-)-β-Elemene515-13-935 % similar 1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-332 % similar (+)-Limonene5989-27-532 % similar (S)-Limonene5989-54-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Bis(tert-butyl)benzaldehyde17610-00-3 1-(4-Heptylphenyl)ethanone37593-03-6 Nootkatone4674-50-4 1-Phenylnonan-1-one6008-36-2 Germacrone6902-91-6 4-(trans-4-Propylcyclohexyl)phenol81936-33-6

Elsewhere

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