Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018250

Phytochemical name: 1-Pentene, 3-ethyl-2-methyl-

Synonymous chemical names:
1-Pentene, 3-ethyl-2-methyl-

External chemical identifiers:
CID:CID_140591, FDASRS:L6UML4C77M, Molport-003-894-760

---

Chemical structure information

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

InChI:
InChI=1S/C8H16/c1-5-8(6-2)7(3)4/h8H,3,5-6H2,1-2,4H3

InChIKey:
HPHHYSWOBXEIRG-UHFFFAOYSA-N

DeepSMILES:
CCCC=C)C))CC

Functional groups:
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: 1.352

---

Chemical structure download