Summary

IMPPAT Phytochemical identifier: IMPHY014024

Phytochemical name: 1-Heneicosene

Synonymous chemical names:
1-heneicosene, heneicosene

External chemical identifiers:
CID:3015374, FDASRS:1RU0UO26IU, SureChEMBL:SCHEMBL338757

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCC=C

InChI:
InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3H,1,4-21H2,2H3

InChIKey:
JTOGFHAZQVDOAO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCC=C

Functional groups:
C=CC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Unsaturated aliphatic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.484

---

Chemical structure download