Summary

IMPPAT Phytochemical identifier: IMPHY016220

Phytochemical name: 4-Acetyloxybut-2-enyl acetate

Synonymous chemical names:
2-buten-1,4-diol diacetate

External chemical identifiers:
CID:140402

---

Chemical structure information

SMILES:
CC(=O)OCC=CCOC(=O)C

InChI:
InChI=1S/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3

InChIKey:
VZUAUHWZIKOMFC-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCC=CCOC=O)C

Functional groups:
CC=CC, COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Dicarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.902

---

Chemical structure download