Summary

IMPPAT Phytochemical identifier: IMPHY017630

Phytochemical name: (E)-5-Hydroxy-2-isopropenyl-5-methylhex-3-enyl acetate

Synonymous chemical names:
(e)-5-hydroxy-2-isopropenyl-5-methylhex-3-enyl acetate

External chemical identifiers:
CID:6429166

---

Chemical structure information

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

InChI:
InChI=1S/C12H20O3/c1-9(2)11(8-15-10(3)13)6-7-12(4,5)14/h6-7,11,14H,1,8H2,2-5H3/b7-6+

InChIKey:
VJCYZSSRCAPSRC-VOTSOKGWSA-N

DeepSMILES:
CC=O)OCCC=C)C))/C=C/CO)C)C

Functional groups:
C/C=C/C, C=C(C)C, CO, COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.314

---

Chemical structure download