2,2-Dimethylcyclohexane-1-carbaldehyde
PubChem CID: 13493680
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,2-Dimethylcyclohexane-1-carbaldehyde, 13155-56-1, SCHEMBL14248522, 2,2-dimethylcyclohexanecarbaldehyde, AKOS018411229, 2,2-dimethylcyclohexane-1-carboxaldehyde, 2,2-dimethyl-cyclohexane-1-carboxaldehyde |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-dimethylcyclohexane-1-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C9H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PRMCTXHFPWJOSP-UHFFFAOYSA-N |
| Fcsp3 | 0.8888888888888888 |
| Logs | -2.54 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.525 |
| Compound Name | 2,2-Dimethylcyclohexane-1-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 140.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3066012000000002 |
| Inchi | InChI=1S/C9H16O/c1-9(2)6-4-3-5-8(9)7-10/h7-8H,3-6H2,1-2H3 |
| Smiles | CC1(CCCCC1C=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients