3,5-Dimethyl-1-hexene
PubChem CID: 522526
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3,5-Dimethyl-1-hexene, 3,5-dimethylhex-1-ene, 7423-69-0, 1-Hexene, 3,5-dimethyl-, DTXSID40334977, DTXCID20286066, AKOS006274876 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 62.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dimethylhex-1-ene |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C8H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FEZKAPRRVNNJTK-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | -4.208 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.239 |
| Compound Name | 3,5-Dimethyl-1-hexene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 112.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 112.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5616391999999997 |
| Inchi | InChI=1S/C8H16/c1-5-8(4)6-7(2)3/h5,7-8H,1,6H2,2-4H3 |
| Smiles | CC(C)CC(C)C=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients