(1S,2E,6E,10R,11S)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3,11-dicarbaldehyde
PubChem CID: 162986897
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| Topological Polar Surface Area | 34.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,2E,6E,10R,11S)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3,11-dicarbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C15H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OFKLAVXSYQQBAY-QAFSZGABSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.305 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.859 |
| Compound Name | (1S,2E,6E,10R,11S)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3,11-dicarbaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.4399025999999995 |
| Inchi | InChI=1S/C15H20O2/c1-11-4-3-5-12(9-16)8-14-13(7-6-11)15(14,2)10-17/h4,8-10,13-14H,3,5-7H2,1-2H3/b11-4+,12-8+/t13-,14+,15+/m1/s1 |
| Smiles | C/C/1=C\CC/C(=C\[C@H]2[C@H]([C@]2(C)C=O)CC1)/C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Podocarpus Nubigenus (Plant) Rel Props:Source_db:cmaup_ingredients