1,3,5,7-Octatetraene, 2,6-dimethyl-
PubChem CID: 562418
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| Compound Synonyms | 1,3,5,7-Octatetraene, 2,6-dimethyl-, 90973-78-7, DTXSID90340200, 2,6-dimethyl-1,3,5,7-octatetraene, DTXCID70291281 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethylocta-1,3,5,7-tetraene |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C10H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HPZWSJQQCJZBBG-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.659 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.858 |
| Compound Name | 1,3,5,7-Octatetraene, 2,6-dimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 134.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.2335763999999996 |
| Inchi | InChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-2H2,3-4H3 |
| Smiles | CC(=C)C=CC=C(C)C=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients