1,1,2-Trimethylcyclohexane
PubChem CID: 35363
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| Compound Synonyms | 1,1,2-Trimethylcyclohexane, 7094-26-0, Cyclohexane, 1,1,2-trimethyl-, TRIMETHYLCYCLOHEXANE, EINECS 230-400-2, NSC 73964, DTXSID50871181, Cyclohexane, trimethyl-, 30498-63-6, NSC73964, 1,2-Trimethylcyclohexane, Cyclohexane,1,2-trimethyl-, DTXCID30818852, LMFA11000632, NSC-73964, Cyclohexane, 1,1,2trimethyl (8CI), AKOS006272344, Cyclohexane, 1,1,2-trimethyl-(8CI), DB-055466, Cyclohexane, 1,1,2trimethyl (8CI)(9CI), NS00044560, Cyclohexane, 1,1,2-trimethyl-(8CI)(9CI), Cyclohexane, 1,1,2-trimethyl-, 1,1,2-Trimethylcyclohexane, NSC 73964, 230-400-2 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 92.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,2-trimethylcyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C9H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MEBONNVPKOBPEA-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.831 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.313 |
| Compound Name | 1,1,2-Trimethylcyclohexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 126.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2372066 |
| Inchi | InChI=1S/C9H18/c1-8-6-4-5-7-9(8,2)3/h8H,4-7H2,1-3H3 |
| Smiles | CC1CCCCC1(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients