trans-2,7-Dimethyl-4,6-octadien-2-ol
PubChem CID: 5352516
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | trans-2,7-Dimethyl-4,6-octadien-2-ol, 2,7-dimethyl-4(E), 6-octadien-2-ol, BYJLIXDKIQTXJA-AATRIKPKSA-N, (4E)-2,7-Dimethyl-4,6-octadien-2-ol # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CC=C/C=C/CCO)C)C))))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4E)-2,7-dimethylocta-4,6-dien-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Inchi Key | BYJLIXDKIQTXJA-AATRIKPKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | trans-2,7-dimethyl-4,6-octadien-2-ol |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C=C(C)C, CO |
| Compound Name | trans-2,7-Dimethyl-4,6-octadien-2-ol |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O/c1-9(2)7-5-6-8-10(3,4)11/h5-7,11H,8H2,1-4H3/b6-5+ |
| Smiles | CC(=C/C=C/CC(C)(C)O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730080303 - 2. Outgoing r'ship
FOUND_INto/from Artemisia Judaica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3525