Cyclopentene, 1-heptyl-
PubChem CID: 138181
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| Compound Synonyms | Cyclopentene, 1-heptyl-, Cyclopentene,1-heptyl-, 1-heptyl-cyclopentene, 4292-00-6, 1-Heptyl-1-cyclopentene, 1-Heptyl-1-cyclopentene #, DTXSID00195566, FALRQTIXQCGLJF-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | True |
| 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 |
| Deep Smiles | CCCCCCCC=CCCC5 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-heptylcyclopentene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C12H22 |
| Scaffold Graph Node Bond Level | C1=CCCC1 |
| Inchi Key | FALRQTIXQCGLJF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | 1-hepthyl-1-cyclopentene |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C |
| Compound Name | Cyclopentene, 1-heptyl- |
| Exact Mass | 166.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 166.3 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H22/c1-2-3-4-5-6-9-12-10-7-8-11-12/h10H,2-9,11H2,1H3 |
| Smiles | CCCCCCCC1=CCCC1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3385