2-Decenylsuccinic anhydride
PubChem CID: 5362666
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| Compound Synonyms | 2-Decenylsuccinic anhydride, 62568-81-4, 2-DECEN-1-YLSUCCINIC ANHYDRIDE, 3-(Dec-2-en-1-yl)dihydrofuran-2,5-dione, 2,5-Furandione, 3-(2-decenyl)dihydro-, 2-Decenylsuccinicanhydride, Decenyl succinic anhydride, SCHEMBL1051256, SCHEMBL8429994, GDXGTHFUAURIFL-CMDGGOBGSA-N, Succinic anhydride, 2-(2-decenyl)-, 3-(2-Decenyl)dihydro-2,5-furandione, (E)-3-(dec-2-enyl)dihydrofuran-2,5-dione, 3-((e)-dec-2-enyl)-dihydrofuran-2,5-dione |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(E)-dec-2-enyl]oxolane-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C14H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GDXGTHFUAURIFL-CMDGGOBGSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -3.672 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.021 |
| Compound Name | 2-Decenylsuccinic anhydride |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 238.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 238.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.341127399999999 |
| Inchi | InChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h8-9,12H,2-7,10-11H2,1H3/b9-8+ |
| Smiles | CCCCCCC/C=C/CC1CC(=O)OC1=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients