Summary

IMPPAT Phytochemical identifier: IMPHY016482

Phytochemical name: 3,4-Octadiene, 7-methyl-

Synonymous chemical names:
7-methyl 3,4-octadiene

External chemical identifiers:
CID:142131, SureChEMBL:SCHEMBL4888755

---

Chemical structure information

SMILES:
CCC=C=CCC(C)C

InChI:
InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h5,7,9H,4,8H2,1-3H3

InChIKey:
GOFRIZQMGVLGIN-UHFFFAOYSA-N

DeepSMILES:
CCC=C=CCCC)C

Functional groups:
CC=C=CC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Allenes

ClassyFire Class: Acyclic allenes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.95

---

Chemical structure download