2,6-Dimethyl-3,7-octadiene-1,6-diol
PubChem CID: 53952704
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| Compound Synonyms | 2,6-dimethyl-3,7-octadiene-1,6-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 |
| Deep Smiles | OCCC=CCCC=C))O)C)))))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethylocta-3,7-diene-1,6-diol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O2 |
| Inchi Key | JFNPIHORQHWCBL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2,6-dimethyl-3,7-octadiene-1,6-diol |
| Esol Class | Very soluble |
| Functional Groups | C=CC, CC=CC, CO |
| Compound Name | 2,6-Dimethyl-3,7-octadiene-1,6-diol |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4-6,9,11-12H,1,7-8H2,2-3H3 |
| Smiles | CC(CO)C=CCC(C)(C=C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
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