Summary

IMPPAT Phytochemical identifier: IMPHY016216

Phytochemical name: 2-(2-Methylbutyl)oxirane

Synonymous chemical names:
2-(2-methylbutyl)oxirane

External chemical identifiers:
CID:534610, SureChEMBL:SCHEMBL52033

---

Chemical structure information

SMILES:
CC(CC)CC1CO1

InChI:
InChI=1S/C7H14O/c1-3-6(2)4-7-5-8-7/h6-7H,3-5H2,1-2H3

InChIKey:
DCURUSMYSILIGA-UHFFFAOYSA-N

DeepSMILES:
CCCC))CCCO3

Functional groups:
CC1CO1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CO1

Scaffold Graph/Node level:
C1CO1

Scaffold Graph level:
C1CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Epoxides

NP-Likeness score: 1.249

---

Chemical structure download