(1S,4S,5S)-5-[(1S,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-2-methylbicyclo[2.2.0]hex-2-ene
PubChem CID: 162844292
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 349.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,4S,5S)-5-[(1S,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-2-methylbicyclo[2.2.0]hex-2-ene |
| Prediction Hob | 0.0 |
| Xlogp | 3.7 |
| Molecular Formula | C15H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHGLQEZJYTZGDZ-AIEDFZFUSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.055 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.191 |
| Compound Name | (1S,4S,5S)-5-[(1S,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-2-methylbicyclo[2.2.0]hex-2-ene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 202.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3847142000000003 |
| Inchi | InChI=1S/C15H22/c1-9-5-6-15(4,11(9)3)14-8-12-10(2)7-13(12)14/h7,11-14H,1,5-6,8H2,2-4H3/t11-,12+,13-,14-,15+/m0/s1 |
| Smiles | C[C@H]1C(=C)CC[C@@]1(C)[C@H]2C[C@H]3[C@@H]2C=C3C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Celastrus Scandens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eleutherococcus Giraldii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Isodon Flexicaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lespedeza Davidii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Saponaria Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Solanum Aethiopicum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Tectona Grandis (Plant) Rel Props:Source_db:cmaup_ingredients