2,6-Dimethyl-2,6-octadiene-1,8-diol, (E,Z)-
PubChem CID: 13619433
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| Compound Synonyms | 9-hydroxygeraniol, J8TV86BU42, 2,6-Dimethyl-2,6-octadiene-1,8-diol, (E,Z)-, (E,Z)-2,6-Dimethyl-2,6-octadiene-1,8-diol, UNII-J8TV86BU42, 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, (Z,E)-, 2,6-Octadiene-1,8-diol, 2,6-dimethyl-, (2Z,6E)-, 32663-40-4, (2Z,6E)-2,6-dimethylocta-2,6-diene-1,8-diol, 10-hydroxynerol, SCHEMBL10323892, CHEBI:180205, PREUOUJFXMCMSJ-KWNZIKDBSA-N, DTXSID801260536, AS-86537, (2E,6Z)-3,7-dimethyl-2,6-octadiene-1,8-diol, (2Z,6E)-2,6-Dimethyl-2,6-octadiene-1,8-diol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | OC/C=C/CC/C=CCO))/C)))))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of tarragon (Artemisia dracunculus). 9-Hydroxygeraniol is found in herbs and spices. |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,6E)-2,6-dimethylocta-2,6-diene-1,8-diol |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O2 |
| Inchi Key | PREUOUJFXMCMSJ-KWNZIKDBSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | (2Z,6e)-2,6-Dimethylocta-2,6-diene-1,8-diol, 9-Hydroxygeraniol, 9-hydroxygeraniol, 9-hydroxygeraniol (vi) |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C(/C)C, C/C=C(C)C, CO |
| Compound Name | 2,6-Dimethyl-2,6-octadiene-1,8-diol, (E,Z)- |
| Kingdom | Organic compounds |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5- |
| Smiles | C/C(=C\CO)/CC/C=C(/C)\CO |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acyclic monoterpenoids |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729