5,7-Dimethylocta-1,6-diene
PubChem CID: 280943
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| Compound Synonyms | 5,7-dimethylocta-1,6-diene, 6874-43-7, DTXSID70299863, 2,4-Dimethyl 2,7-octadiene, iso-citronellene, NSC133361, 1, 5,7-dimethyl-, DTXCID10250998, KDA00604, NSC-133361, 687-465-9 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dimethylocta-1,6-diene |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C10H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FYZHLRMYDRUDES-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.65 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.23 |
| Compound Name | 5,7-Dimethylocta-1,6-diene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 138.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0539747999999998 |
| Inchi | InChI=1S/C10H18/c1-5-6-7-10(4)8-9(2)3/h5,8,10H,1,6-7H2,2-4H3 |
| Smiles | CC(CCC=C)C=C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients