4-Butylcyclohexanone
PubChem CID: 543708
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| Compound Synonyms | 4-N-Butylcyclohexanone, 61203-82-5, 4-Butylcyclohexanone, 4-butylcyclohexan-1-one, 4-Butyl-cyclohexanone, Cyclohexanone, 4-butyl-, SCHEMBL918598, DTXSID60337622, AKOS006279917, DB-009040, CS-0366584, G62444, 612-100-7 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 119.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-butylcyclohexan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CKUNTDNDGXPOPB-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Logs | -3.598 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.635 |
| Compound Name | 4-Butylcyclohexanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3686686 |
| Inchi | InChI=1S/C10H18O/c1-2-3-4-9-5-7-10(11)8-6-9/h9H,2-8H2,1H3 |
| Smiles | CCCCC1CCC(=O)CC1 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients