1,2-Dimethylcyclohexane
PubChem CID: 11416
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,2-DIMETHYLCYCLOHEXANE, 583-57-3, Cyclohexane, 1,2-dimethyl-, Hexahydro-o-xylene, o-Dimethylcyclohexane, EINECS 209-509-4, NSC 43769, UNII-5D8M6YR6O1, 5D8M6YR6O1, DTXSID50858730, NSC-43769, Cyclohexane, 1,2-dimethyl- (cis/trans), Cyclohexane, 1,2-dimethyl-, 1,2-Dimethylcyclohexane, NSC 43769, o-Dimethylcyclohexane, MFCD00064172, Cyclohexane,2-dimethyl-, 1,2-dimethyl-cyclohexane, Cyclohexane, 1,2dimethyl, DTXCID50809464, Cyclohexane, 1,2-dimethyl-(8CI), NSC43769, AKOS015913311, Cyclohexane, 1,2-dimethyl-(cis/trans), Cyclohexane, 1,2-dimethyl-(8CI)(9CI), DB-053193, D0698, NS00079894, 1,2-Dimethylcyclohexane (cis- and trans- mixture), Q24702624, 1,2-DIMETHYLCYCLOHEXANE (CIS-AND TRANS-MIXTURE), 209-509-4 |
|---|---|
| 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 | C1CCCCC1 |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCC6C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 56.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-dimethylcyclohexane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | KVZJLSYJROEPSQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,2-dimethyicyclohexane, 1,2-dimethyl cyclohexane |
| Esol Class | Soluble |
| Compound Name | 1,2-Dimethylcyclohexane |
| Exact Mass | 112.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 112.21 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3 |
| Smiles | CC1CCCCC1C |
| 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 Albizia Lebbeck (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643875 - 2. Outgoing r'ship
FOUND_INto/from Dictamnus Albus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699823