Undec-10-enoate
PubChem CID: 14891
Connections displayed (default: 10).
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| Compound Synonyms | undec-10-enoate, 10-undecenoate, ZINC UNDECYLENATE, CHEBI:83041, DTXSID00927829, STL483853, AKOS040894369, NCGC00263899-02, (11:1n1), AB01563391_01, Q27156591 |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | undec-10-enoate |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Is Pains | False |
| Molecular Formula | C11H19O2- |
| Prediction Swissadme | 0.0 |
| Inchi Key | FRPZMMHWLSIFAZ-UHFFFAOYSA-M |
| Fcsp3 | 0.7272727272727273 |
| Rotatable Bond Count | 8.0 |
| Compound Name | Undec-10-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 183.139 |
| Formal Charge | -1.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 183.139 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 183.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7464801999999997 |
| Inchi | InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)/p-1 |
| Smiles | C=CCCCCCCCCC(=O)[O-] |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients