Summary

IMPPAT Phytochemical identifier: IMPHY015358

Phytochemical name: 3-Methyltriacontane

Synonymous chemical names:
3-methyl triacontane

External chemical identifiers:
CID:14543656, SureChEMBL:SCHEMBL5301671

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(CC)C

InChI:
InChI=1S/C31H64/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(3)5-2/h31H,4-30H2,1-3H3

InChIKey:
NXCMTLDSKYDELZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC))C

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.359

---

Chemical structure download