4-Isopropenyl-5-methyl-2-(1-methylethylidene)-5-vinylcyclohexanone
PubChem CID: 519762
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Isopropenyl-5-methyl-2-(1-methylethylidene)-5-vinylcyclohexanone, 20303-60-0, 5-ethenyl-5-methyl-2-propan-2-ylidene-4-prop-1-en-2-ylcyclohexan-1-one, c-.beta.-Elemenone, cis-.beta.-Elemenone, .beta.-Elemenone, Cyclohexanone, 5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, cis-, Elemenone, b-Elemenone, 4-Isopropenyl-5-methyl-2-(1-methylethylidene)-5-vinylcyclohexanone, cis, ABLPGPHZENVRRH-UHFFFAOYSA-N, Cyclohexanone, 5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, (4R,5S)-rel-, [4S,(+)]-2-Isopropylidene-4beta-isopropenyl-5alpha-vinyl-5-methylcyclohexanone |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Description | Constituent of Myrica gale (bog myrtle). beta-Elemenone is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 369.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethenyl-5-methyl-2-propan-2-ylidene-4-prop-1-en-2-ylcyclohexan-1-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 4.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ABLPGPHZENVRRH-UHFFFAOYSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -4.356 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.979 |
| Synonyms | b-Elemenone, Elemenone, Β-elemenone |
| Compound Name | 4-Isopropenyl-5-methyl-2-(1-methylethylidene)-5-vinylcyclohexanone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -3.852607999999999 |
| Inchi | InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3 |
| Smiles | CC(=C1CC(C(CC1=O)(C)C=C)C(=C)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients