2,6-Dimethyl-2,5-heptadiene
PubChem CID: 521945
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| Compound Synonyms | 2,6-dimethyl-2,5-heptadiene, 6090-16-0, DTXSID40334795, Isogeraniolen, 2,6-dimethyl-hepta-2,5-diene, DTXCID90285884 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethylhepta-2,5-diene |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C9H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WCMUAGGUXKQBSS-UHFFFAOYSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -4.203 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.844 |
| Compound Name | 2,6-Dimethyl-2,5-heptadiene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 124.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 124.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 124.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9037073999999996 |
| Inchi | InChI=1S/C9H16/c1-8(2)6-5-7-9(3)4/h6-7H,5H2,1-4H3 |
| Smiles | CC(=CCC=C(C)C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients