Summary

IMPPAT Phytochemical identifier: IMPHY016194

Phytochemical name: 1,6-Diacetoxyhexane

Synonymous chemical names:
1,6-diacetoxyhexanet

External chemical identifiers:
CID:80356, ZINC:ZINC000001694794, SureChEMBL:SCHEMBL273326

---

Chemical structure information

SMILES:
CC(=O)OCCCCCCOC(=O)C

InChI:
InChI=1S/C10H18O4/c1-9(11)13-7-5-3-4-6-8-14-10(2)12/h3-8H2,1-2H3

InChIKey:
ZMFWEWMHABZQNB-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCCCCCOC=O)C

Functional groups:
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: 0.443

---

Chemical structure download