cis-Dihydroocimene
PubChem CID: 5463452
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| Compound Synonyms | cis-dihydroocimene, 6874-36-8, (Z)-Dihydroocimene, DTXSID7091541, WUIFRGYQELQKDN-NTMALXAHSA-N, (3Z)-3,7-Dimethyl-1,3-octadiene, 2,6-Dimethyl-5,7-octadiene (cis) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C=C/C=CCCCC)C)))))/C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 118.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z)-3,7-dimethylocta-1,3-diene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18 |
| Inchi Key | WUIFRGYQELQKDN-NTMALXAHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | cis-dihydroocimene |
| Esol Class | Soluble |
| Functional Groups | C=C/C(C)=CC |
| Compound Name | cis-Dihydroocimene |
| Exact Mass | 138.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 138.25 |
| Gi Absorption | False |
| 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/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,8-9H,1,6-7H2,2-4H3/b10-8- |
| Smiles | CC(C)CC/C=C(/C)\C=C |
| Np Classifier Biosynthetic Pathway | Fatty acids, Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
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