1,9-Bis(methylperoxy)nonane

Details

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Internal ID 15deb3ca-a1c0-45d5-a621-0c5fca6d5596
Taxonomy Organic oxygen compounds > Organic oxides > Organic peroxides > Dialkyl peroxides
IUPAC Name 1,9-bis(methylperoxy)nonane
SMILES (Canonical) COOCCCCCCCCCOOC
SMILES (Isomeric) COOCCCCCCCCCOOC
InChI InChI=1S/C11H24O4/c1-12-14-10-8-6-4-3-5-7-9-11-15-13-2/h3-11H2,1-2H3
InChI Key VZDQIAQTIXINMV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C11H24O4
Molecular Weight 220.31 g/mol
Exact Mass 220.16745924 g/mol
Topological Polar Surface Area (TPSA) 36.90 Ų
XlogP 3.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,9-Bis(methylperoxy)nonane

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.55% 96.09%
CHEMBL2885 P07451 Carbonic anhydrase III 87.27% 87.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.69% 99.17%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Sextonia rubra

Cross-Links

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PubChem 162820220
LOTUS LTS0126110
wikiData Q104200020