(3-Methylpentyl)cyclohexane
PubChem CID: 557854
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| Compound Synonyms | (3-Methylpentyl)cyclohexane, 61142-38-9, Cyclohexane, (3-methylpentyl)-, 1-cyclohexyl-3-methylpentane, (3-Methylpentyl)cyclohexane #, XYKJVHTUQQONLW-UHFFFAOYSA-N, DTXSID101337532, DB-299721 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylpentylcyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C12H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XYKJVHTUQQONLW-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.919 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.774 |
| Compound Name | (3-Methylpentyl)cyclohexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 168.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3492087999999995 |
| Inchi | InChI=1S/C12H24/c1-3-11(2)9-10-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3 |
| Smiles | CCC(C)CCC1CCCCC1 |
| 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