(14E,18E)-lycopadiene
PubChem CID: 13889926
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| Compound Synonyms | (14E,18E)-lycopadiene, (6R,10R,14E,18E,23R,27R)-2,6,10-octamethyldotriaconta-14,18-diene, (6R,10R,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-14,18-diene, 111051-86-6, CHEBI:142539, (6R,10R,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-Octamethyl-14,18-dotriacontadiene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 552.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (6R,10R,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-14,18-diene |
| Prediction Hob | 0.0 |
| Xlogp | 18.4 |
| Molecular Formula | C40H78 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JBDZFQFIKGPIRH-PQPPKSKMSA-N |
| Fcsp3 | 0.9 |
| Logs | -8.381 |
| Rotatable Bond Count | 27.0 |
| Logd | 10.664 |
| Compound Name | (14E,18E)-lycopadiene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 558.61 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 558.61 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 559.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -13.141396800000003 |
| Inchi | InChI=1S/C40H78/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h21-22,33-34,37-40H,11-20,23-32H2,1-10H3/b35-21+,36-22+/t37-,38-,39+,40+/m1/s1 |
| Smiles | C[C@H](CCCC(C)C)CCC[C@H](CCC/C(=C/CC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Botryococcus Braunii (Plant) Rel Props:Source_db:cmaup_ingredients