3,7-Cyclodecadien-1-one, 10-(1-methylethenyl)-, (E,E)-
PubChem CID: 5369944
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| Compound Synonyms | VJWZVZISFZTZGU-KQQUZDAGSA-N, 10-Isopropenyl-3,7-cyclodecadien-1-one #, 3,7-Cyclodecadien-1-one, 10-(1-methylethenyl)-, (E,E)- |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,7E)-10-prop-1-en-2-ylcyclodeca-3,7-dien-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C13H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VJWZVZISFZTZGU-KQQUZDAGSA-N |
| Fcsp3 | 0.4615384615384615 |
| Logs | -4.109 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.206 |
| Compound Name | 3,7-Cyclodecadien-1-one, 10-(1-methylethenyl)-, (E,E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 190.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.2280732 |
| Inchi | InChI=1S/C13H18O/c1-11(2)12-9-7-5-3-4-6-8-10-13(12)14/h5-8,12H,1,3-4,9-10H2,2H3/b7-5+,8-6+ |
| Smiles | CC(=C)C1C/C=C/CC/C=C/CC1=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients