Cyclohexene, 3-(2-methylpropyl)-
PubChem CID: 20057
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| Compound Synonyms | Cyclohexene, 3-isobutyl-, Cyclohexene, 3-(2-methylpropyl)-, 4104-56-7, 3-(2-Methylpropyl)-cyclohexene, 3-Isobutylcyclohexene-1, 3-Isobutyl-1-cyclohexene, 3-(2-Methylpropyl)cyclohex-1-ene, 3-isobutylcyclohex-1-ene, 3-(2-METHYLPROPYL)CYCLOHEXENE, 3-(2-Methylpropyl)-1-cyclohexene, CHEBI:88554, 3-(2-methyl-propyl)-cyclohexene, DTXSID00961400, NVLNRIBMCIJLQD-UHFFFAOYSA-N, Q27160445 |
|---|---|
| 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 | C1CCCCC1 |
| Deep Smiles | CCCCCCCC=C6)))))))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2-methylpropyl)cyclohexene |
| Class | Unsaturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.1 |
| Superclass | Hydrocarbons |
| Subclass | Olefins |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18 |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Inchi Key | NVLNRIBMCIJLQD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | cyclohexene, 3-(2-methylpropyl)- |
| Esol Class | Soluble |
| Functional Groups | CC=CC |
| Compound Name | Cyclohexene, 3-(2-methylpropyl)- |
| Kingdom | Organic compounds |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3 |
| Smiles | CC(C)CC1CCCC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cycloalkenes |
- 1. Outgoing r'ship
FOUND_INto/from Nepeta Nuda (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1407678