(2Z,4E,6E)-2,4,6,10-Farnesatetraene
PubChem CID: 13717595
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (2Z,4E,6E)-2,4,6,10-Farnesatetraene, (E,E,Z)-3,7,11-trimethyl-2,4,6,10-Dodecatetraene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Description | Isol. (without stereochemical distinction) from oil of Cymbopogon nardus (citronella), Cananga odorata (ylang ylang) and others |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraene |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Is Pains | False |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JEKGHHPMLRLCIW-VBVMRKNNSA-N |
| Fcsp3 | 0.4666666666666667 |
| Rotatable Bond Count | 5.0 |
| Synonyms | 3,7,11-Trimethyl-2,4,6,10-dodecatetraene, Allofarnesene, (E,E,E)-3,7,11-trimethyl-2,4,6,10-Dodecatetraene, (E,E,Z)-3,7,11-trimethyl-2,4,6,10-Dodecatetraene |
| Compound Name | (2Z,4E,6E)-2,4,6,10-Farnesatetraene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.594813399999999 |
| Inchi | InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,12H,7,11H2,1-5H3/b10-8+,14-6+,15-12- |
| Smiles | C/C=C(\C)/C=C/C=C(/C)\CCC=C(C)C |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Melissa Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all