3,5,7-Octatrien-2-ol, 2,6-dimethyl-
PubChem CID: 538933
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3,5,7-Octatrien-2-ol, 2,6-dimethyl-, 103272-78-2, DTXSID80337129, 2,6-dimethyl-3,5,7-octatriene-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 | C=CC=CC=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 | 185.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethylocta-3,5,7-trien-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Inchi Key | HYBLHNGOEIJQDA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2,6-dimethyl-3,5,7-octatrien,2-ol, 2,6-dimethyl-3,5,7-octatrien-2 oil |
| Esol Class | Soluble |
| Functional Groups | C=CC(C)=CC=CC, CO |
| Compound Name | 3,5,7-Octatrien-2-ol, 2,6-dimethyl- |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| 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/C10H16O/c1-5-9(2)7-6-8-10(3,4)11/h5-8,11H,1H2,2-4H3 |
| Smiles | CC(=CC=CC(C)(C)O)C=C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643348