4-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]benzaldehyde
PubChem CID: 23426957
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 4-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]benzaldehyde |
| Prediction Hob | 0.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KRHXCOJQYVTERL-SWLSCSKDSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.652 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.848 |
| Compound Name | 4-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]benzaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 214.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5948095999999996 |
| Inchi | InChI=1S/C15H18O/c1-11-8-9-15(3,12(11)2)14-6-4-13(10-16)5-7-14/h4-7,10,12H,1,8-9H2,2-3H3/t12-,15+/m0/s1 |
| Smiles | C[C@H]1C(=C)CC[C@@]1(C)C2=CC=C(C=C2)C=O |
| 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