1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-4-methylbenzene
PubChem CID: 11790230
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| Compound Synonyms | 18452-41-0, 1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-4-methylbenzene, Benzene, 1-[(1R,2S)-1,2-dimethyl-3-methylenecyclopentyl]-4-methyl-, 1-(1alpha,2beta-Dimethyl-3-methylenecyclopentyl)-4-methylbenzene, DTXSID30472832, 1-((1R,2S)-1,2-Dimethyl-3-methylenecyclopentyl)-4-methylbenzene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-4-methylbenzene |
| Prediction Hob | 0.0 |
| Xlogp | 4.5 |
| Molecular Formula | C15H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HEVGGTGPGPKZHF-DZGCQCFKSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -5.051 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.656 |
| Compound Name | 1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-4-methylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 200.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 200.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.159615 |
| Inchi | InChI=1S/C15H20/c1-11-5-7-14(8-6-11)15(4)10-9-12(2)13(15)3/h5-8,13H,2,9-10H2,1,3-4H3/t13-,15+/m0/s1 |
| Smiles | C[C@H]1C(=C)CC[C@@]1(C)C2=CC=C(C=C2)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 Juglans Mandshurica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lespedeza Davidii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Saponaria Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Solanum Aethiopicum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Tectona Grandis (Plant) Rel Props:Source_db:cmaup_ingredients