1,5-Cyclooctadiene, 1,5-dimethyl-
PubChem CID: 5365758
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| Compound Synonyms | 1,5-Dimethyl-1,5-cyclooctadiene, 1,5-Cyclooctadiene, 1,5-dimethyl-, EINECS 223-173-6, 3760-14-3, Y37A397RLD, (1Z,5Z)-1,5-dimethylcycloocta-1,5-diene, DTXSID3063172, 1,5-Dimethyl cyclooctadiene, UNII-Y37A397RLD, 1,5Dimethylcycloocta1,5diene, DTXCID3039371, 1,5Cyclooctadiene, 1,5dimethyl, 1,5-Dimethyl-cycloocta-1,5-diene, InChI=1/C10H16/c1-9-5-3-7-10(2)8-4-6-9/h5,8H,3-4,6-7H2,1-2H3/b9-5-,10-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCCC1 |
| Np Classifier Class | Germacrane sesquiterpenoids |
| Deep Smiles | CC=CCCC=CCC8)))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCCCC1 |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 141.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1Z,5Z)-1,5-dimethylcycloocta-1,5-diene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16 |
| Scaffold Graph Node Bond Level | C1=CCCC=CCC1 |
| Inchi Key | RYOGZVTWMZNTGL-UDRCNDPASA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,5-cyclooctadiene,1,6-dimethyl- |
| Esol Class | Soluble |
| Functional Groups | C/C=C(C)C |
| Compound Name | 1,5-Cyclooctadiene, 1,5-dimethyl- |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16/c1-9-5-3-7-10(2)8-4-6-9/h5,8H,3-4,6-7H2,1-2H3/b9-5-,10-8- |
| Smiles | C/C/1=C/CC/C(=C\CC1)/C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1431152