Summary

IMPPAT Phytochemical identifier: IMPHY015694

Phytochemical name: 2(3H)-Furanone, 5-dodecyldihydro-

Synonymous chemical names:
4-hexadecanolide [γ-palmitolactone], gamma palmitolactone, γ-palmitolactone

External chemical identifiers:
CID:97747, ChEBI:170094, SureChEMBL:SCHEMBL1029290

---

Chemical structure information

SMILES:
CCCCCCCCCCCCC1CCC(=O)O1

InChI:
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(17)18-15/h15H,2-14H2,1H3

InChIKey:
SRIFJCOBFTWCTM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)O5

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: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 1.294

---

Chemical structure download