2-Methyl-2-butenyl methacrylate

Details

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Internal ID ac12a589-4241-4c91-a97c-64eb72f0646b
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Alpha,beta-unsaturated carboxylic esters > Enoate esters
IUPAC Name 2-methylbut-2-enyl 2-methylprop-2-enoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C9H14O2/c1-5-8(4)6-11-9(10)7(2)3/h5H,2,6H2,1,3-4H3
InChI Key ZHJOZVKIWDMOFL-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C9H14O2
Molecular Weight 154.21 g/mol
Exact Mass 154.099379685 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 2.60

Synonyms

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ZHJOZVKIWDMOFL-UHFFFAOYSA-N

2D Structure

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2D Structure of 2-Methyl-2-butenyl methacrylate

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
CHEMBL4040 P28482 MAP kinase ERK2 94.80% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.25% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.16% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.52% 99.17%
CHEMBL2581 P07339 Cathepsin D 82.28% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 81.24% 94.73%

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.
Chamaemelum fuscatum

Cross-Links

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PubChem 54547253
LOTUS LTS0200567
wikiData Q105375797