Summary

IMPPAT Phytochemical identifier: IMPHY016612

Phytochemical name: 2,2'-Methylenedicyclopentanone

Synonymous chemical names:
di(cyclopentanonyl-2)methane

External chemical identifiers:
CID:290961

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Chemical structure information

SMILES:
O=C1CCCC1CC1CCCC1=O

InChI:
InChI=1S/C11H16O2/c12-10-5-1-3-8(10)7-9-4-2-6-11(9)13/h8-9H,1-7H2

InChIKey:
UQGRMSBTXNYJFA-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC5CCCCCC5=O

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC1CC1CCCC1=O

Scaffold Graph/Node level:
OC1CCCC1CC1CCCC1O

Scaffold Graph level:
CC1CCCC1CC1CCCC1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: 0.527

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Chemical structure download