Summary

IMPPAT Phytochemical identifier: IMPHY015404

Phytochemical name: 5-Butylnonane

Synonymous chemical names:
5-butyl-nonane

External chemical identifiers:
CID:300476, ZINC:ZINC000001716103, SureChEMBL:SCHEMBL506062

---

Chemical structure information

SMILES:
CCCCC(CCCC)CCCC

InChI:
InChI=1S/C13H28/c1-4-7-10-13(11-8-5-2)12-9-6-3/h13H,4-12H2,1-3H3

InChIKey:
YXSQPZMAIVSYDV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC))))CCCC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.554

---

Chemical structure download