4-Octene-2,7-diol, 2,7-dimethyl-, Z-
PubChem CID: 5365382
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| Compound Synonyms | 4-Octene-2,7-diol, 2,7-dimethyl-, Z-, LQBJEGDVJSXOJN-WAYWQWQTSA-N, cis-2,7-dimethyl-4-octene-2,7-diol, (4Z)-2,7-Dimethyl-4-octene-2,7-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 | CCC/C=CCCO)C)C))))))O)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-2,7-dimethyloct-4-ene-2,7-diol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20O2 |
| Inchi Key | LQBJEGDVJSXOJN-WAYWQWQTSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2,7-dimethyl-oct-4(z)-ene-2,7-diol, cis-2,7-dimethyi-4-octen-2,7-dioi |
| Esol Class | Very soluble |
| Functional Groups | C/C=CC, CO |
| Compound Name | 4-Octene-2,7-diol, 2,7-dimethyl-, Z- |
| Exact Mass | 172.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 172.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H20O2/c1-9(2,11)7-5-6-8-10(3,4)12/h5-6,11-12H,7-8H2,1-4H3/b6-5- |
| Smiles | CC(C)(C/C=C\CC(C)(C)O)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 Lavandula Intermedia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700043