(Z)-2-Undecenal
PubChem CID: 6431019
Connections displayed (default: 10).
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| Compound Synonyms | (Z)-2-Undecenal, 2-(Z)-undecenal, 2-Undecenal, (Z)-, 2-Undecenal, (2Z)-, FEMA No. 3423, Z-, cis-2-Undecenal, UNII-78K7E213J9, 71277-05-9, 78K7E213J9, (Z)-undec-2-enal, (Z)-Undecenal, (2Z)-2-undecenal, SCHEMBL4874573, PANBRUWVURLWGY-KTKRTIGZSA-N, Q27266671 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-undec-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C11H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PANBRUWVURLWGY-KTKRTIGZSA-N |
| Fcsp3 | 0.7272727272727273 |
| Logs | -4.015 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.14 |
| Compound Name | (Z)-2-Undecenal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 168.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.020236 |
| Inchi | InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9- |
| Smiles | CCCCCCCC/C=C\C=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Patrinia Scabiosifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Patrinia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients