Summary

IMPPAT Phytochemical identifier: IMPHY017407

Phytochemical name: 1,4-Hexadiene

Synonymous chemical names:
hexa-1,4-diene

External chemical identifiers:
CID:5365552, ChEMBL:CHEMBL3182034, ZINC:ZINC000001601383, FDASRS:17304456C6, SureChEMBL:SCHEMBL22508

---

Chemical structure information

SMILES:
C=CC/C=C/C

InChI:
InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+

InChIKey:
PRBHEGAFLDMLAL-GQCTYLIASA-N

DeepSMILES:
C=CC/C=C/C

Functional groups:
C/C=C/C, C=CC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.536

---

Chemical structure download