Summary

IMPPAT Phytochemical identifier: IMPHY017119

Phytochemical name: 4-Methyl-1,3-nonadiene

Synonymous chemical names:
4-methyl-1,3-nonadiene

External chemical identifiers:
CID:14899745

---

Chemical structure information

SMILES:
C/C(=CC=C)/CCCCC

InChI:
InChI=1S/C10H18/c1-4-6-7-9-10(3)8-5-2/h5,8H,2,4,6-7,9H2,1,3H3/b10-8+

InChIKey:
KCEWUAAXLWIJBN-CSKARUKUSA-N

DeepSMILES:
C/C=CC=C)))/CCCCC

Functional groups:
C=C/C=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: 1.827

---

Chemical structure download