Summary

IMPPAT Phytochemical identifier: IMPHY017793

Phytochemical name: 2,3,5-Triethyl-2-cyclopentene-1-one

Synonymous chemical names:
2,3,5-triethyl-cyclopent-2-en-1-one

External chemical identifiers:
CID:86228487

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Chemical structure information

SMILES:
CCC1CC(=C(C1=O)CC)CC

InChI:
InChI=1S/C11H18O/c1-4-8-7-9(5-2)11(12)10(8)6-3/h9H,4-7H2,1-3H3

InChIKey:
MQZRTCODUUNGDL-UHFFFAOYSA-N

DeepSMILES:
CCCCC=CC5=O))CC)))CC

Functional groups:
CC1=C(C)C(=O)CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCC1

Scaffold Graph/Node level:
OC1CCCC1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 1.043

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Chemical structure download