(4Z,6E)-2,5-dimethylocta-2,4,6-triene
PubChem CID: 18605657
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 164.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4Z,6E)-2,5-dimethylocta-2,4,6-triene |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VMJZCRLJWCETEG-VOFQGDAYSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.776 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.151 |
| Compound Name | (4Z,6E)-2,5-dimethylocta-2,4,6-triene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.1986756 |
| Inchi | InChI=1S/C10H16/c1-5-6-10(4)8-7-9(2)3/h5-8H,1-4H3/b6-5+,10-8- |
| Smiles | C/C=C/C(=C\C=C(C)C)/C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients