5-Ethylidene-3,8-dimethyl-4,5,6,7-tetrahydroazulene
PubChem CID: 71335161
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| Compound Synonyms | 110210-03-2, 5-Ethylidene-3,8-dimethyl-4,5,6,7-tetrahydroazulene, DTXSID30763171 |
|---|---|
| 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 | 5-ethylidene-3,8-dimethyl-6,7-dihydro-4H-azulene |
| Prediction Hob | 0.0 |
| Xlogp | 2.5 |
| Molecular Formula | C14H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YJSBPHVIVFLSNV-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -4.648 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.13 |
| Compound Name | 5-Ethylidene-3,8-dimethyl-4,5,6,7-tetrahydroazulene |
| 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 | 1.0 |
| Esol | -2.5826475999999996 |
| Inchi | InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h4,6,8H,5,7,9H2,1-3H3 |
| Smiles | CC=C1CCC(=C2C=CC(=C2C1)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