2,6-Dimethyl-2,6-undecadien-10-ol
PubChem CID: 5370125
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| Compound Synonyms | 7733-91-7, (E)-6,10-Dimethylundeca-5,9-dien-2-ol, 2,6-Dimethyl-2,6-undecadien-10-ol, 6,10-dimethyl-5,9-undecadien-2-ol, (e)-6,10-dimethyl-5,9-undecadien-2-ol, (5E)-6,10-dimethylundeca-5,9-dien-2-ol, CHEMBL24466, SCHEMBL2495543, STL560961, AKOS000621578, AKOS030489291 |
|---|---|
| Ghose Rule | True |
| 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 | CCCC/C=C/CCC=CC)C)))))C)))))O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 197.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5E)-6,10-dimethylundeca-5,9-dien-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H24O |
| Inchi Key | LYFDNQZGOHRKNK-FMIVXFBMSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | (e)-6,10-dimethyl-5,9- undecadien-2-ol |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, CC=C(C)C, CO |
| Compound Name | 2,6-Dimethyl-2,6-undecadien-10-ol |
| Exact Mass | 196.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 196.33 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9,13-14H,5-6,8,10H2,1-4H3/b12-9+ |
| Smiles | CC(CC/C=C(\C)/CCC=C(C)C)O |
| 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 Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9700493