1-Methyl-1-ethylcyclohexane
PubChem CID: 35411
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| Compound Synonyms | 1-Ethyl-1-methylcyclohexane, 4926-90-3, 1-Methyl-1-ethylcyclohexane, Cyclohexane, 1-ethyl-1-methyl-, Cyclohexane, ethylmethyl-, methylethylcyclohexane, NSC 73962, DTXSID501032344, NSC-73962, 30677-34-0, NSC73962, E98BD5E2UY, DTXCID7038230, AKOS006272619, Cyclohexane, 1-ethyl-1-methyl-(8CI), NS00096214, Cyclohexane, 1-ethyl-1-methyl-(8CI)(9CI) |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 78.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethyl-1-methylcyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C9H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YPJRYQGOKHKNKZ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.424 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.916 |
| Compound Name | 1-Methyl-1-ethylcyclohexane |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3539066 |
| Inchi | InChI=1S/C9H18/c1-3-9(2)7-5-4-6-8-9/h3-8H2,1-2H3 |
| Smiles | CCC1(CCCCC1)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients