Summary

IMPPAT Phytochemical identifier: IMPHY017122

Phytochemical name: 2,2,9-Trimethyl-1,6-dioxaspiro[4.4]nona-3,8-diene

Synonymous chemical names:
2,2,9-trimethyl-1,6-dioxaspiro[4.4]-nona-3.8-diene

External chemical identifiers:
CID:15139933

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Chemical structure information

SMILES:
CC1=CCOC21C=CC(O2)(C)C

InChI:
InChI=1S/C10H14O2/c1-8-4-7-11-10(8)6-5-9(2,3)12-10/h4-6H,7H2,1-3H3

InChIKey:
GZMRUYPUKPHWRG-UHFFFAOYSA-N

DeepSMILES:
CC=CCOC5C=CCO5)C)C

Functional groups:
CC1=CCOC12C=CCO2

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2(C=CCO2)OC1

Scaffold Graph/Node level:
C1COC2(C1)CCCO2

Scaffold Graph level:
C1CCC2(C1)CCCC2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.152

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Chemical structure download