1-methyl-4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzene
PubChem CID: 11790229
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 | 266.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-methyl-4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzene |
| Prediction Hob | 0.0 |
| Xlogp | 4.1 |
| Molecular Formula | C15H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IQASKEDZMPNZPN-HNNXBMFYSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -5.102 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.901 |
| Compound Name | 1-methyl-4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzene |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9076149999999994 |
| Inchi | InChI=1S/C15H20/c1-11-5-7-14(8-6-11)15(4)10-9-12(2)13(15)3/h5-8H,9-10H2,1-4H3/t15-/m0/s1 |
| Smiles | CC1=C([C@@](CC1)(C)C2=CC=C(C=C2)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cymbidium Aloifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Delphinium Dictyocarpum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Juniperus Serawschanica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ladeania Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ligularia Atroviolacea (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Peucedanum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Scutellaria Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Trifolium Pannonicum (Plant) Rel Props:Source_db:cmaup_ingredients