(3E,5E,7S,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene
PubChem CID: 162885435
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 | 294.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3E,5E,7S,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C15H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSZALOUXXLZEOV-QLDCOZHMSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.973 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.557 |
| Compound Name | (3E,5E,7S,8Z)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 202.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.4689141999999995 |
| Inchi | InChI=1S/C15H22/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6-12,15H,1H2,2-5H3/b11-7-,12-8+,14-10+/t15-/m0/s1 |
| Smiles | C[C@@H](/C=C\C=C(C)C)/C=C/C=C(\C)/C=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Sevangensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Elsholtzia Blanda (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Eupatorium Sternbergianum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Polanisia Dodecandra (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Prunus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients