Butyl dec-9-enoate
PubChem CID: 17825102
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| Compound Synonyms | butyl dec-9-enoate, butyl 9-decenoate, SCHEMBL3123509, CHEBI:87291, FOGBCOMHVVYKLG-UHFFFAOYSA-N, Q27159496 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | butyl dec-9-enoate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Is Pains | False |
| Molecular Formula | C14H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FOGBCOMHVVYKLG-UHFFFAOYSA-N |
| Fcsp3 | 0.7857142857142857 |
| Rotatable Bond Count | 12.0 |
| Compound Name | Butyl dec-9-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.193 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 226.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5447319999999998 |
| Inchi | InChI=1S/C14H26O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3H,1,4-13H2,2H3 |
| Smiles | CCCCOC(=O)CCCCCCCC=C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients