1,5-Cyclooctadiene, 3-(1-methyl-2-propenyl)-
PubChem CID: 5367436
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | XDAVQTXWOCTEPO-RRMOSLQNSA-N, 1,5-Cyclooctadiene, 3-(1-methyl-2-propenyl)-, 3-(1-Methyl-2-propenyl)-1,5-cyclooctadiene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 186.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1Z,5Z)-3-but-3-en-2-ylcycloocta-1,5-diene |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C12H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XDAVQTXWOCTEPO-RRMOSLQNSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.983 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.659 |
| Compound Name | 1,5-Cyclooctadiene, 3-(1-methyl-2-propenyl)- |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.2278111999999997 |
| Inchi | InChI=1S/C12H18/c1-3-11(2)12-9-7-5-4-6-8-10-12/h3,5,7-8,10-12H,1,4,6,9H2,2H3/b7-5-,10-8- |
| Smiles | CC(C=C)C/1C/C=C\CC/C=C1 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 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