Bicyclo[4.2.0]oct-1-ene, exo-7-[(1E)-propenyl]-
PubChem CID: 5368398
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| Compound Synonyms | Bicyclo[4.2.0]oct-1-ene, exo-7-[(1E)-propenyl]-, SNPMSYLGYWTIEZ-GORDUTHDSA-N, 7-[(1E)-1-Propenyl]bicyclo[4.2.0]oct-1-ene #, exo-7-(trans-1-Propenyl)bicyclo[4.2.0]oct-1(2)-ene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[(E)-prop-1-enyl]bicyclo[4.2.0]oct-1-ene |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C11H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SNPMSYLGYWTIEZ-GORDUTHDSA-N |
| Fcsp3 | 0.6363636363636364 |
| Logs | -4.696 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.835 |
| Compound Name | Bicyclo[4.2.0]oct-1-ene, exo-7-[(1E)-propenyl]- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 148.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.5642438000000003 |
| Inchi | InChI=1S/C11H16/c1-2-5-9-8-10-6-3-4-7-11(9)10/h2,5-6,9,11H,3-4,7-8H2,1H3/b5-2+ |
| Smiles | C/C=C/C1CC2=CCCCC12 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients