4,8-Dimethyl-1,7-nonadiene
PubChem CID: 534956
Connections displayed (default: 10).
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| Compound Synonyms | 4,8-Dimethyl-1,7-nonadiene, 62108-28-5, 1,7-Nonadiene, 4,8-dimethyl-, DTXSID50336609, DTXCID60287698, DB-357741 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8-dimethylnona-1,7-diene |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C11H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WJBLCSOLILMHEZ-UHFFFAOYSA-N |
| Fcsp3 | 0.6363636363636364 |
| Logs | -2.236 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.879 |
| Compound Name | 4,8-Dimethyl-1,7-nonadiene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 152.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3710421999999998 |
| Inchi | InChI=1S/C11H20/c1-5-7-11(4)9-6-8-10(2)3/h5,8,11H,1,6-7,9H2,2-4H3 |
| Smiles | CC(CCC=C(C)C)CC=C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dioscorea Collettii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dioscorea Septemloba (Plant) Rel Props:Source_db:cmaup_ingredients