Summary

IMPPAT Phytochemical identifier: IMPHY016499

Phytochemical name: 1-(1-Ethoxyethoxy)hexane

Synonymous chemical names:
acetaldehyde ethyl hexyl acetal

External chemical identifiers:
CID:108244, SureChEMBL:SCHEMBL873415

---

Chemical structure information

SMILES:
CCCCCCOC(OCC)C

InChI:
InChI=1S/C10H22O2/c1-4-6-7-8-9-12-10(3)11-5-2/h10H,4-9H2,1-3H3

InChIKey:
YJYLJPSYBMNHTG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCOCOCC)))C

Functional groups:
COC(C)OC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 0.38

---

Chemical structure download