7-Ethyl-5,6-dihydro-1,4-dimethylazulene
PubChem CID: 85705095
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| Compound Synonyms | 7-Ethyl-5,6-dihydro-1,4-dimethylazulene, CHEBI:230161, DTXSID901280048, 7-ethyl-1,4-dimethyl-5,6-dihydroazulene, 18454-89-2 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-ethyl-1,4-dimethyl-5,6-dihydroazulene |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C14H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GMAWSFXIELFLDC-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -4.57 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.762 |
| Compound Name | 7-Ethyl-5,6-dihydro-1,4-dimethylazulene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 186.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 186.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6489475999999996 |
| Inchi | InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6,8-9H,4-5,7H2,1-3H3 |
| Smiles | CCC1=CC2=C(C=CC2=C(CC1)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Catha Edulis (Plant) Rel Props:Source_db:cmaup_ingredients