3-Hydroxy-2-(2-methylcyclohex-1-enyl)propionaldehyde
PubChem CID: 572960
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-Hydroxy-2-(2-methylcyclohex-1-enyl)propionaldehyde, LWUNJRGHXMLAPI-UHFFFAOYSA-N, 3-Hydroxy-2-(2-methyl-1-cyclohexen-1-yl)propanal # |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 194.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-2-(2-methylcyclohexen-1-yl)propanal |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LWUNJRGHXMLAPI-UHFFFAOYSA-N |
| Fcsp3 | 0.7 |
| Logs | -1.775 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.058 |
| Compound Name | 3-Hydroxy-2-(2-methylcyclohex-1-enyl)propionaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1134632 |
| Inchi | InChI=1S/C10H16O2/c1-8-4-2-3-5-10(8)9(6-11)7-12/h6,9,12H,2-5,7H2,1H3 |
| Smiles | CC1=C(CCCC1)C(CO)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients