Summary

IMPPAT Phytochemical identifier: IMPHY009984

Phytochemical name: Geranyl octanoate

Synonymous chemical names:
geranyl octanoate

External chemical identifiers:
CID:6365696, ZINC:ZINC000002384594, SureChEMBL:SCHEMBL756947

---

Chemical structure information

SMILES:
CCCCCCCC(=O)OC/C=C(/CCC=C(C)C)C

InChI:
InChI=1S/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14+

InChIKey:
YYBMOGCOPQVSLQ-SAPNQHFASA-N

DeepSMILES:
CCCCCCCC=O)OC/C=C/CCC=CC)C)))))C

Functional groups:
C/C=C(/C)C, CC=C(C)C, COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.624

---

Chemical structure download