2-Ethyl-3-methylcyclopentene
PubChem CID: 557171
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| Compound Synonyms | 2-Ethyl-3-methylcyclopentene, 1-Ethyl-5-methylcyclopentene, 1-aethyl-a5-amethyl-cyclopentene, BZNZWJRSMCINQO-UHFFFAOYSA-N, DTXSID601015937, 1-Ethyl-5-methyl-1-cyclopentene #, AKOS006273826, 97797-57-4 |
|---|---|
| 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 | CCC=CCCC5C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethyl-5-methylcyclopentene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H14 |
| Scaffold Graph Node Bond Level | C1=CCCC1 |
| Inchi Key | BZNZWJRSMCINQO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-ethyl-3-methylcyclopentene |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C |
| Compound Name | 2-Ethyl-3-methylcyclopentene |
| Exact Mass | 110.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 110.2 |
| 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/C8H14/c1-3-8-6-4-5-7(8)2/h6-7H,3-5H2,1-2H3 |
| Smiles | CCC1=CCCC1C |
| 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 Aloysia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.981593