2,6-Dimethyl heptanal
PubChem CID: 14139288
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| Compound Synonyms | 2,6-dimethyl heptanal, SCHEMBL276563, ACNJJWGXZLMAAX-UHFFFAOYSA-N, AKOS013990829 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethylheptanal |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C9H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ACNJJWGXZLMAAX-UHFFFAOYSA-N |
| Fcsp3 | 0.8888888888888888 |
| Logs | -2.415 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.011 |
| Compound Name | 2,6-Dimethyl heptanal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 142.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2819004 |
| Inchi | InChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10/h7-9H,4-6H2,1-3H3 |
| Smiles | CC(C)CCCC(C)C=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients