chempirical

(+)-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. Search the SDS library

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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

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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