Summary

IMPPAT Phytochemical identifier: IMPHY017898

Phytochemical name: 3-Methylnonadecane

Synonymous chemical names:
3-methylnonadecane

External chemical identifiers:
CID:94322, SureChEMBL:SCHEMBL4917806

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC(CC)C

InChI:
InChI=1S/C20H42/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2/h20H,4-19H2,1-3H3

InChIKey:
NYRRMADCQLTNBX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCC))C

---

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: 0.557

---

Chemical structure download