Summary

IMPPAT Phytochemical identifier: IMPHY016732

Phytochemical name: Methoxyacetic acid, cyclopentyl ester

Synonymous chemical names:
methoxyacetic acid, cyclopentyl ester

External chemical identifiers:
CID:550010

---

Chemical structure information

SMILES:
COCC(=O)OC1CCCC1

InChI:
InChI=1S/C8H14O3/c1-10-6-8(9)11-7-4-2-3-5-7/h7H,2-6H2,1H3

InChIKey:
SFUGJRHSCRIYCR-UHFFFAOYSA-N

DeepSMILES:
COCC=O)OCCCCC5

Functional groups:
COC, COC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP-Likeness score: 0.06

---

Chemical structure download