(R)-5,7-Dimethylocta-1,6-diene
PubChem CID: 10964588
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| Compound Synonyms | ISOCITRONELLENE, 85006-04-8, (R)-5,7-Dimethylocta-1,6-diene, (5R)-5,7-DIMETHYLOCTA-1,6-DIENE, EINECS 285-035-1, R(+)5,7-Dimethyl-1,6-octadiene, 5,7-Dimethyl-1,6-octadiene, (R)-, 1,6-Octadiene, 5,7-dimethyl-, (R)-, DTXSID001316991, AKOS006238542, NS00060204 |
|---|---|
| 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 | 1.0 |
| Iupac Name | (5R)-5,7-dimethylocta-1,6-diene |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C10H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FYZHLRMYDRUDES-SNVBAGLBSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.518 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.314 |
| Compound Name | (R)-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/t10-/m1/s1 |
| Smiles | C[C@H](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