(2-Dodecenyl)succinic anhydride
PubChem CID: 5362708
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| Compound Synonyms | 19780-11-1, (2-Dodecenyl)succinic anhydride, 2-Dodecen-1-ylsuccinic anhydride, 2,5-Furandione, 3-(2-dodecen-1-yl)dihydro-, 2-Dodecen-1-yl succinic anhydride, CCRIS 4810, 3-(2-Dodecenyl)succinic anhydride, 2,5-Furandione, 3-(2-dodecenyl)dihydro-, 3-[(E)-dodec-2-enyl]oxolane-2,5-dione, EINECS 243-296-9, (2-Dodecen-1-yl)succinic anhydride, 3-(Dodec-2-en-1-yl)dihydrofuran-2,5-dione, MFCD00005528, S63TTA7G5P, U3Z29QTW3P, CHEMBL87310, Succinic anhydride, (2-dodecenyl)- (8CI), 428493-97-4, 2,5-Furandione, 3-dodecenyl-, DTXSID7025217, DTXCID10196504, EC 243-296-9, ((E)-2-Dodecenyl)succinic anhydride, 2-Dodecen-1-yl(-)succinic anhydride, trans-(2-Dodecenyl)succinic anhydride, J149.584D, 2,5-Furandione, 3-(2E)-2-dodecenyldihydro-, 2-Dodecenylsuccinic anhydride, (E)-3-(Dodec-2-en-1-yl)dihydrofuran-2,5-dione, 3-(2-Dodecen-1-yl)dihydro-2,5-furandione, (2E)-, CAS-19780-11-1, UNII-U3Z29QTW3P, UNII-S63TTA7G5P, (2-Dodecen-1-yl)succinic, 2-dodecen-1-yl-succinic anhydride, Tox21_202473, Tox21_303400, BDBM50108510, AKOS015903207, Epoxy embedding medium, hardener DDSA, CS-W010116, HY-W009400, NCGC00091241-01, NCGC00091241-02, NCGC00257398-01, NCGC00260022-01, AS-75571, LS-14534, PD196686, J120.744J, D0976, ((E)-3-Dodec-2-enyl)-dihydro-furan-2,5-dione, (2E)-3-(2-dodecen-1-yl)dihydro-2,5-furandione, 3-[(2E)-2-Dodecenyl]dihydro-2,5-furandione #, 3,4-DIHYDRO-3-(2-DODECENYL)-2,5-FURANDIONE, Q27288708, 243-296-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)C1 |
| Deep Smiles | CCCCCCCCC/C=C/CCCC=O)OC5=O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | OC1CCC(O)O1 |
| Classyfire Subclass | Dicarboxylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(E)-dodec-2-enyl]oxolane-2,5-dione |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 5.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H26O3 |
| Scaffold Graph Node Bond Level | O=C1CCC(=O)O1 |
| Inchi Key | UYCICMIUKYEYEU-ZHACJKMWSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | (2-dodecen-1-yl succinic anhydride |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, O=C1CCC(=O)O1 |
| Compound Name | (2-Dodecenyl)succinic anhydride |
| Exact Mass | 266.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 266.38 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3/b11-10+ |
| Smiles | CCCCCCCCC/C=C/CC1CC(=O)OC1=O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Napus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662616