Summary

IMPPAT Phytochemical identifier: IMPHY006838

Phytochemical name: 1-Methoxycyclohexene

Synonymous chemical names:
1-methoxycyclohexene

External chemical identifiers:
CID:70264, ZINC:ZINC000005701055, SureChEMBL:SCHEMBL46404

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Chemical structure information

SMILES:
COC1=CCCCC1

InChI:
InChI=1S/C7H12O/c1-8-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3

InChIKey:
HZFQGYWRFABYSR-UHFFFAOYSA-N

DeepSMILES:
COC=CCCCC6

Functional groups:
CC=C(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

NP-Likeness score: 0.957

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Chemical structure download