Isodecylaldehyde
PubChem CID: 14862
Connections displayed (default: 10).
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| Compound Synonyms | 8-Methylnonanal, Isodecanal, 3085-26-5, 1321-89-7, ISODECYLALDEHYDE, Isoaldehyde C-10, Isodecaldehyde, Nonanal, 8-methyl-, EINECS 215-328-1, FEMA 2390, HSDB 1988, CA4031G8P7, ISODECYLALDEHYDE [HSDB], FEMA NO. 4803, DTXSID701023804, UNII-CA4031G8P7, Isoaldehyde C10, TRIMETHYLHEPTANALS, Isodecanal, Isodecaldehyde, SCHEMBL443450, DTXCID3034086, DTXSID0061668, DTXCID701508121, FEMA 2390., ISODECALDEHYDE, MIXED ISOMERS, AKOS028114668, 2,6-DIMETHYL OCTANOIC ALDEHYDE, FM25906, WS-01880, DB-307517, NS00024196, D86949, EN300-7224878, Q27275375, 215-328-1 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methylnonanal |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WDMOXLRWVGEXJV-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Logs | -3.004 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.25 |
| Compound Name | Isodecylaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5581677999999997 |
| Inchi | InChI=1S/C10H20O/c1-10(2)8-6-4-3-5-7-9-11/h9-10H,3-8H2,1-2H3 |
| Smiles | CC(C)CCCCCCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients