Summary

IMPPAT Phytochemical identifier: IMPHY012182

Phytochemical name: 2,2-Dimethyl-3-propyloxirane

Synonymous chemical names:
2,2,-dimethyl-3-propyloxirane

External chemical identifiers:
CID:28639, SureChEMBL:SCHEMBL1262344

---

Chemical structure information

SMILES:
CCCC1OC1(C)C

InChI:
InChI=1S/C7H14O/c1-4-5-6-7(2,3)8-6/h6H,4-5H2,1-3H3

InChIKey:
ZWMFGIJPJXEKCV-UHFFFAOYSA-N

DeepSMILES:
CCCCOC3C)C

Functional groups:
CC1OC1(C)C

---

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 Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.621

---

Chemical structure download