Sebacaldehyde
PubChem CID: 3016433
Connections displayed (default: 10).
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| Compound Synonyms | Sebacaldehyde, decanedial, 45037-67-0, 1,10-decanedial, EINECS 256-186-0, starbld0009959, 1,8-Octanedicarboxaldehyde, SCHEMBL453083, 9YM9XE29K8, DTXSID50196366, ZNWNWEHQFXOPGK-UHFFFAOYSA-N, MFCD24673699, NS00057577, G68651 |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | decanedial |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZNWNWEHQFXOPGK-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.791 |
| Rotatable Bond Count | 9.0 |
| Logd | 1.421 |
| Compound Name | Sebacaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5426624 |
| Inchi | InChI=1S/C10H18O2/c11-9-7-5-3-1-2-4-6-8-10-12/h9-10H,1-8H2 |
| Smiles | C(CCCCC=O)CCCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients