Summary

IMPPAT Phytochemical identifier: IMPHY016275

Phytochemical name: 2-Methylocta-2,4,6-triene

Synonymous chemical names:
2-methyloctatriene-2,4,6

External chemical identifiers:
CID:53643885

---

Chemical structure information

SMILES:
CC=CC=CC=C(C)C

InChI:
InChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h4-8H,1-3H3

InChIKey:
AHXXJOUHGBPWGW-UHFFFAOYSA-N

DeepSMILES:
CC=CC=CC=CC)C

Functional groups:
CC=CC=CC=C(C)C

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 2.337

---

Chemical structure download