Cosmene
PubChem CID: 5368451
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cosmene, Cosmen, 460-01-5, (3E,5E)-2,6-Dimethyl-1,3,5,7-octatetraene, BB1XPU95WD, UNII-BB1XPU95WD, (3E,5E)-2,6-dimethylocta-1,3,5,7-tetraene, 2,6-Dimethyl-1,3,5,7-octatetraene, E,E-, trans,trans-2,6-Dimethyl-1,3,5,7-octatetraene, 1,3,5,7-Octatetraene, 2,6-dimethyl-, (3E,5E)-, (E)-2,6-Dimethyl-1,3,5,7-octatetraene, 2,6-Dimethyl-1,3(E),5(E),7-octatetraene, 2,6-dimethyl-1,3,5,7-octatetraene, 2,6-dimethylocta-1,3,5,7-tetraene, CHEBI:87600, CHEBI:90063, DTXSID301020808, (e,e)-2,6-dimethyl-1,3,5,7-octatetraene, (3E,5E)-2,6-Dimethyl-1,3,5,7-octatetraene #, Q24817453 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C=C/C=C/C=C/C=C)C)))))/C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E)-2,6-dimethylocta-1,3,5,7-tetraene |
| Prediction Hob | 1.0 |
| Class | Unsaturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.4 |
| Superclass | Hydrocarbons |
| Subclass | Olefins |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HPZWSJQQCJZBBG-LQPGMRSMSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.2 |
| Logs | -2.54 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.419 |
| Synonyms | cosmene |
| Esol Class | Soluble |
| Functional Groups | C=C/C(C)=C/C=C/C(=C)C |
| Compound Name | Cosmene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 134.22 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.2335763999999996 |
| Inchi | InChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-2H2,3-4H3/b7-6+,10-8+ |
| Smiles | CC(=C)/C=C/C=C(\C)/C=C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Alkatetraenes |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Dahlia Coccinea (Plant) Rel Props:Reference:ISBN:9788172362300 - 5. Outgoing r'ship
FOUND_INto/from Erigeron Karvinskianus (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362300 - 6. Outgoing r'ship
FOUND_INto/from Lippia Alba (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1486232 - 7. Outgoing r'ship
FOUND_INto/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1630015