Summary

IMPPAT Phytochemical identifier: IMPHY017181

Phytochemical name: 5,5-Dimethyldihydrofuran-2(3h)-one

Synonymous chemical names:
5.5-dimethyldihydrofuran-2-one

External chemical identifiers:
CID:18398, ZINC:ZINC000005082834, FDASRS:MN93807ZPO, SureChEMBL:SCHEMBL92282, MolPort-002-499-359

---

Chemical structure information

SMILES:
O=C1CCC(O1)(C)C

InChI:
InChI=1S/C6H10O2/c1-6(2)4-3-5(7)8-6/h3-4H2,1-2H3

InChIKey:
NPHAVLULUWJQAS-UHFFFAOYSA-N

DeepSMILES:
O=CCCCO5)C)C

Functional groups:
COC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 1.847

---

Chemical structure download