2-Methyl-5,7-dimethylene-1,8-nonadiene
PubChem CID: 561666
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,8-Nonadiene, 2-methyl-5,7-dimethylene-, 2-Methyl-5,7-dimethylene-1,8-nonadiene, RCZAYHKXHPHBPX-UHFFFAOYSA-N, 2-Methyl-5,7-dimethylene-1,8-nonadiene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 206.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-5,7-dimethylidenenona-1,8-diene |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C12H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RCZAYHKXHPHBPX-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.501 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.292 |
| Compound Name | 2-Methyl-5,7-dimethylene-1,8-nonadiene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 162.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8710112 |
| Inchi | InChI=1S/C12H18/c1-6-11(4)9-12(5)8-7-10(2)3/h6H,1-2,4-5,7-9H2,3H3 |
| Smiles | CC(=C)CCC(=C)CC(=C)C=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients