1,5-Dimethylcyclopentene
PubChem CID: 86014
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| Compound Synonyms | 1,5-Dimethylcyclopentene, 16491-15-9, Cyclopentene, 1,5-dimethyl-, 1,5-dimethylcyclopent-1-ene, 1,2-Dimethyl-2-cyclopentene, 2,3-Dimethylcyclopentene, EINECS 240-550-0, 1,5-Dimethyl-1-cyclopentene #, DTXSID00871257, AKOS006283777, NS00052226 |
|---|---|
| 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 | C1CCCC1 |
| Np Classifier Class | Iridoids monoterpenoids |
| Deep Smiles | CC=CCCC5C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dimethylcyclopentene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H12 |
| Scaffold Graph Node Bond Level | C1=CCCC1 |
| Inchi Key | RIICRLQIUAAOOE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,5-dimethylcyclopentene (or(e,e)-2,4-heptadiene) |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)C |
| Compound Name | 1,5-Dimethylcyclopentene |
| Exact Mass | 96.0939 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 96.0939 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 96.17 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H12/c1-6-4-3-5-7(6)2/h4,7H,3,5H2,1-2H3 |
| Smiles | CC1CCC=C1C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698798