2,6-Dimethylocta-2,6-diene
PubChem CID: 137614
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| Compound Synonyms | 2,6-dimethylocta-2,6-diene, DTXSID60862969, 2,6-Octadiene,2,6-dimethyl-, 2,6-DIMETHYL-2,6-OCTADIENE, 2,6-dimethyl oct-2,6-diene, 2,6-dimethyl-octa-2,6-diene, DTXCID70811660, (E)-2,6-dimethylocta-2,6-diene, DB-046831, DS-012637, NS00123654 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethylocta-2,6-diene |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C10H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MZPDTOMKQCMETI-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.378 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.172 |
| Compound Name | 2,6-Dimethylocta-2,6-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 | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.1136747999999996 |
| Inchi | InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3 |
| Smiles | CC=C(C)CCC=C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ferula Assafoetida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ferula Fukanensis (Plant) Rel Props:Source_db:cmaup_ingredients