1-methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexa-1,4-diene
PubChem CID: 5316206
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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 | 317.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexa-1,4-diene |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MDJJOJZGNNCGHU-OAHLLOKOSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.602 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.798 |
| Compound Name | 1-methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexa-1,4-diene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0776134 |
| Inchi | InChI=1S/C15H24/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6,9H,5,7-8,10-11H2,1-4H3/t15-/m1/s1 |
| Smiles | CC1=CCC(=CC1)[C@]2(CCCC2(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients