1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-4-methylcyclohexa-1,4-diene
PubChem CID: 14865952
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 | 343.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-4-methylcyclohexa-1,4-diene |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C15H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TWRALMCYJKWSET-DZGCQCFKSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.671 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.53 |
| Compound Name | 1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-4-methylcyclohexa-1,4-diene |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4666141999999995 |
| Inchi | InChI=1S/C15H22/c1-11-5-7-14(8-6-11)15(4)10-9-12(2)13(15)3/h5,8,13H,2,6-7,9-10H2,1,3-4H3/t13-,15+/m0/s1 |
| Smiles | C[C@H]1C(=C)CC[C@@]1(C)C2=CCC(=CC2)C |
| Nring | 2.0 |
| 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