Fucoserratene
PubChem CID: 5367475
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| Compound Synonyms | fucoserratene, (3E,5Z)-octa-1,3,5-triene, 1,3E,5Z-Octatriene, 33580-05-1, Sarohornene C, 1,3,5-Octatriene, (E,Z)-, 1,3,5-Octatriene, (3E,5Z)-, 3-trans,6-cis-octatriene, 1,3-trans,5-cis-octatriene, (E,Z)-1,3,5-Octatriene, (3E,5Z)-1,3,5-Octatriene, 1,3-(E)-5-(Z)-Octatriene, HOXGZVUCAYFWGR-YMBWGVAGSA-N, fucoserratene,(3E,5E)-1,3,5-octatriene,(E,Z)-1,3,5-octatriene |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CC/C=CC=CC=C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5Z)-octa-1,3,5-triene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H12 |
| Inchi Key | HOXGZVUCAYFWGR-YMBWGVAGSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1,3-trans-5-cis-octatriene |
| Esol Class | Very soluble |
| Functional Groups | C=C/C=C/C=CC |
| Compound Name | Fucoserratene |
| Exact Mass | 108.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 108.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 108.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3,5-8H,1,4H2,2H3/b7-5+,8-6- |
| Smiles | CC/C=C\C=C\C=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Ruta Chalepensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10644006