(2E,4E,7S)-3,7,11-trimethyldodeca-2,4,10-triene
PubChem CID: 92154864
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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 | 237.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2E,4E,7S)-3,7,11-trimethyldodeca-2,4,10-triene |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C15H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GIBJEWOSWWYJSK-RGUZAKIQSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.825 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.476 |
| Compound Name | (2E,4E,7S)-3,7,11-trimethyldodeca-2,4,10-triene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 206.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.585412599999999 |
| Inchi | InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,15H,7,11-12H2,1-5H3/b10-8+,14-6+/t15-/m0/s1 |
| Smiles | C/C=C(\C)/C=C/C[C@@H](C)CCC=C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cicerbita Alpina (Plant) Rel Props:Source_db:cmaup_ingredients