Summary

IMPPAT Phytochemical identifier: IMPHY015267

Phytochemical name: 2-Isopropyl-5-methylhex-2-enal

Synonymous chemical names:
2-isopropyl-5-methyl-2-hexenal

External chemical identifiers:
CID:5362661, ZINC:ZINC000002009356, FDASRS:FI8O66176J, SureChEMBL:SCHEMBL459467, MolPort-001-793-753

---

Chemical structure information

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

InChI:
InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3/b10-6-

InChIKey:
IOLQAHFPDADCHJ-POHAHGRESA-N

DeepSMILES:
O=C/C=C/CCC)C))))/CC)C

Functional groups:
C/C=C(C)C=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 1.776

---

Chemical structure download