3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan
PubChem CID: 10910959
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| Compound Synonyms | C15H20O |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | C/C=CC=CCC)C)))))/C=C/Cccocc5 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Heteroaromatic compounds |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 5.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H20O |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Inchi Key | ROCIWIQPHIBTOC-JHSNUBCISA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | c15h20o |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C=C(C)/C=C/C, coc |
| Compound Name | 3-[(2E,4E,6E)-4,8-dimethylnona-2,4,6-trienyl]furan |
| Exact Mass | 216.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 216.32 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H20O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h4-8,10-13H,9H2,1-3H3/b6-4+,8-5+,14-7+ |
| Smiles | CC(C)/C=C/C=C(\C)/C=C/CC1=COC=C1 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Baueriana (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199701)12:1<19::aid-ffj597>3.0.co;2-f - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Crebra (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199701)12:1<19::aid-ffj597>3.0.co;2-f - 3. Outgoing r'ship
FOUND_INto/from Eucalyptus Melliodora (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199701)12:1<19::aid-ffj597>3.0.co;2-f - 4. Outgoing r'ship
FOUND_INto/from Eucalyptus Moluccana (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199701)12:1<19::aid-ffj597>3.0.co;2-f - 5. Outgoing r'ship
FOUND_INto/from Eucalyptus Sideroxylon (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199701)12:1<19::aid-ffj597>3.0.co;2-f - 6. Outgoing r'ship
FOUND_INto/from Eucalyptus Staigeriana (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199701)12:1<19::aid-ffj597>3.0.co;2-f