Summary

IMPPAT Phytochemical identifier: IMPHY014232

Phytochemical name: 2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene

Synonymous chemical names:
2-[(z)2-thienylmethylene]-1,6-dioxaspiro[4,4]non-3-ene

External chemical identifiers:
CID:12045806, ChEBI:169717

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Chemical structure information

SMILES:
C1COC2(C1)C=C/C(=Cc1cccs1)/O2

InChI:
InChI=1S/C12H12O2S/c1-3-11(15-8-1)9-10-4-6-12(14-10)5-2-7-13-12/h1,3-4,6,8-9H,2,5,7H2/b10-9+

InChIKey:
LLZQYUSTIRVCPF-MDZDMXLPSA-N

DeepSMILES:
CCOCC5)C=C/C=Cccccs5))))))/O5

Functional groups:
c/C=C1C=CC(C)(OC)O1, csc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2(CCCO2)OC1=Cc1cccs1

Scaffold Graph/Node level:
C1CSC(CC2CCC3(CCCO3)O2)C1

Scaffold Graph level:
C1CCC(CC2CCC3(CCCC3)C2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP-Likeness score: 0.483

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Chemical structure download