Summary

IMPPAT Phytochemical identifier: IMPHY015171

Phytochemical name: 1,5-Dimethyl-7-oxabicyclo[4.1.0]heptane

Synonymous chemical names:
1,5-dimethyl-7-oxabicyclo[4.1.0]heptane

External chemical identifiers:
CID:537752, SureChEMBL:SCHEMBL5675298

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Chemical structure information

SMILES:
CC1CCCC2(C1O2)C

InChI:
InChI=1S/C8H14O/c1-6-4-3-5-8(2)7(6)9-8/h6-7H,3-5H2,1-2H3

InChIKey:
JECOGJBQQYXLLN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6O3))C

Functional groups:
CC1OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2OC2C1

Scaffold Graph/Node level:
C1CCC2OC2C1

Scaffold Graph level:
C1CCC2CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxepanes

NP-Likeness score: 3.06

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Chemical structure download