Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018030

Phytochemical name: 6-Isopropenyl-3-methoxymethoxy-3-methyl-cyclohexene

Synonymous chemical names:
6-Isopropenyl-3-methoxymethoxy-3-methyl-cyclohexene

External chemical identifiers:
CID:CID_562417

---

Chemical structure information

SMILES:
COCOC1(C)CCC(C=C1)C(=C)C

InChI:
InChI=1S/C12H20O2/c1-10(2)11-5-7-12(3,8-6-11)14-9-13-4/h5,7,11H,1,6,8-9H2,2-4H3

InChIKey:
ZODPWVRIVFMQFH-UHFFFAOYSA-N

DeepSMILES:
COCOCC)CCCC=C6))C=C)C

Functional groups:
COCOC, CC=CC, C=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 2.577

---

Chemical structure download