1-Ethyl-4-methylcyclohexane
PubChem CID: 19503
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-Ethyl-4-methylcyclohexane, 3728-56-1, cis-1-Ethyl-4-Methylcyclohexane, trans-1-Ethyl-4-Methylcyclohexane, 4926-78-7, 6236-88-0, Cyclohexane, 1-ethyl-4-methyl-, cis-, Cyclohexane, 1-ethyl-4-methyl-, trans-, cis-1-ethyl-4-methycyclohexane, trans-1-ethyl-4-methycyclohexane, DTXSID00190733, Cyclohexane, 1-ethyl-4-methyl-, 1-Ethyl-4-methylcyclohexane cis-, Cis-1-ethyl-4-methyl cyclohexane, 1-Ethyl-4-methylcyclohexane trans-, 1-ethyl-4-methyl(trans)-cyclohexane, MFCD00045511, 1-ethyl-4-methyl-cyclohexane, c-1-Ethyl-4-methylcyclohexane, 1-Methyl-cis-4-ethylcyclohexane, cis-1-Methyl-4-Ethylcyclohexane, DTXCID40113224, CYISMTMRBPPERU-DTORHVGOSA-N, CYISMTMRBPPERU-KYZUINATSA-N, 1-Methyl-trans-4-ethylcyclohexane, DTXSID001025635, DTXSID201015854, trans-1-Methyl-4-Ethylcyclohexane, 1-ethyl-4-methyl(cis)-cyclohexane, 1-Ethyl-4-methylcyclohexane, (E)-, 1-Ethyl-4-methylcyclohexane, (Z)-, 1-Ethyl-4-methylcyclohexane, trans-, LMFA11000649, LMFA11000650, (1r,4r)-1-ethyl-4-methylcyclohexane, (1s,4s)-1-ethyl-4-methylcyclohexane, AKOS006274115, AKOS006274116, DB-049090, DB-318923, CS-0451769, E0424, T72381 |
|---|---|
| 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 |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCC6))C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 68.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethyl-4-methylcyclohexane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H18 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | CYISMTMRBPPERU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | cyclohexane-1-ethyl-4-methyl (cis or trans) |
| Esol Class | Soluble |
| Compound Name | 1-Ethyl-4-methylcyclohexane |
| Exact Mass | 126.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 126.24 |
| 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/C9H18/c1-3-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3 |
| Smiles | CCC1CCC(CC1)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644099