CID 79135
PubChem CID: 79135
Connections displayed (default: 10).
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| Compound Synonyms | 943-93-1, 9,10-Epoxy-1,5-cyclododecadiene, 13-Oxabicyclo[10.1.0]trideca-4,8-diene, CID 79135, 1,2-epoxycyclododeca-5,9-diene, DTXSID201034389, DB-242981 |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 13-oxabicyclo[10.1.0]trideca-4,8-diene |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C12H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OWUVDWLTQIPNLN-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.513 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.155 |
| Compound Name | CID 79135 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 178.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.9802049999999998 |
| Inchi | InChI=1S/C12H18O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h3-6,11-12H,1-2,7-10H2 |
| Smiles | C1CC=CCCC2C(O2)CCC=C1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 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