Summary

IMPPAT Phytochemical identifier: IMPHY017470

Phytochemical name: 3-(1-Ethoxyethoxy)-1-butanol

Synonymous chemical names:
3-(1-ethoxy-ethoxy)-butan-1-ol

External chemical identifiers:
CID:552108, SureChEMBL:SCHEMBL9483262

---

Chemical structure information

SMILES:
OCCC(OC(OCC)C)C

InChI:
InChI=1S/C8H18O3/c1-4-10-8(3)11-7(2)5-6-9/h7-9H,4-6H2,1-3H3

InChIKey:
KLNWFGIJLHRAIC-UHFFFAOYSA-N

DeepSMILES:
OCCCOCOCC)))C)))C

Functional groups:
CO, 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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 0.766

---

Chemical structure download