13-Methyltetradeca-2,9-diene
PubChem CID: 54332465
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 13-methyltetradeca-2,9-diene |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C15H28 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SZHOGKYPRQCASK-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -6.282 |
| Rotatable Bond Count | 9.0 |
| Logd | 5.113 |
| Compound Name | 13-Methyltetradeca-2,9-diene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 208.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.5007117999999995 |
| Inchi | InChI=1S/C15H28/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-5,11-12,15H,6-10,13-14H2,1-3H3 |
| Smiles | CC=CCCCCCC=CCCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Echinacea Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients