2,6-Dimethyl-5,7-octadien-2-ol-, (5E)-
PubChem CID: 5368785
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| Compound Synonyms | Ocimenol, 2,6-Dimethyl-5,7-octadien-2-ol, (5E)-2,6-dimethylocta-5,7-dien-2-ol, 5986-38-9, 5,7-OCTADIEN-2-OL, 2,6-DIMETHYL-, VS9Q6ZW25U, trans-2,6-Dimethyl-5,7-octadien-2-ol, (E)-2,6-Dimethylocta-5,7-dien-2-ol, 2,6-Dimethyl-5,7-octadien-2-ol-, (5E)-, 5,7-Octadien-2-ol, 2,6-dimethyl-, (E)-, 5,7-Octadien-2-ol, 2,6-dimethyl-, (5E)-, UNII-VS9Q6ZW25U, 7643-60-9, EINECS 227-806-7, 5,7-Octadien-2-ol,2,6-dimethyl-, (5E)-2,6-Dimethyl-5,7-octadien-2-ol, UNII-FR6PG7PF4W, FR6PG7PF4W, SCHEMBL111319, (5E)-2,6-Dimethyl-5,7-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 | C=C/C=C/CCCO)C)C)))))/C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5E)-2,6-dimethylocta-5,7-dien-2-ol |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.9 |
| Superclass | Organic oxygen compounds |
| Subclass | Alcohols and polyols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | IJFKZRMIRAVXRK-VQHVLOKHSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6 |
| Logs | -1.517 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.382 |
| Synonyms | (5E)-2,6-Dimethyl-5,7-octadien-2-ol, (5E)-2,6-Dimethylocta-5,7-dien-2-ol, 2,6-dimethyl-5,7-octadien-2-ol, ocimenol |
| Esol Class | Soluble |
| Functional Groups | C=C/C(C)=C/C, CO |
| Compound Name | 2,6-Dimethyl-5,7-octadien-2-ol-, (5E)- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| 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 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.3530686000000003 |
| Inchi | InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,7,11H,1,6,8H2,2-4H3/b9-7+ |
| Smiles | C/C(=C\CCC(C)(C)O)/C=C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Tertiary alcohols |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Amomum Subulatum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998090)13:5<349::aid-ffj758>3.0.co;2-o - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Longicaule (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699268 - 3. Outgoing r'ship
FOUND_INto/from Cupressus Funebris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712130 - 4. Outgoing r'ship
FOUND_INto/from Hibiscus Sabdariffa (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 5. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:npass_chem_all