[(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate

C17H18O8 — CID 89191635

IUPAC[(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O/C=C\OOCCOC(=O)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H18O8/c1-12(2)16(19)22-8-10-24-25-11-9-23-17(20)15(18)13-4-6-14(21-3)7-5-13/h4-8,10H,1,9,11H2,2-3H3/b10-8-
InChIKeyWWCWJUYRRLNCNC-NTMALXAHSA-N
MW350.32 g/mol
LogP1.96
Rot. Bonds10

About [(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate

[(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate (PubChem CID 89191635) has the molecular formula C17H18O8 and a molecular weight of 350.32 g/mol. Its IUPAC name is [(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate
PubChem CID89191635
Molecular FormulaC17H18O8
Molecular Weight350.32 g/mol
Exact Mass350.10
IUPAC Name[(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O/C=C\OOCCOC(=O)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H18O8/c1-12(2)16(19)22-8-10-24-25-11-9-23-17(20)15(18)13-4-6-14(21-3)7-5-13/h4-8,10H,1,9,11H2,2-3H3/b10-8-
InChIKeyWWCWJUYRRLNCNC-NTMALXAHSA-N
XLogP1.96
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl 2-methylprop-2-enoate
CID 72660242
2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethenylperoxy]ethyl 2-(4-methoxyphenyl)-2-oxoacetate
CID 72660232
[(Z)-2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] prop-2-enoate;ethene
CID 161360758
2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate
CID 135066132
2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
CID 118031006
(4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate
CID 67777483
[4-(4-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 67394366
methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate
CID 54129750
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
2-(2-methylprop-2-enoyloxy)ethyl (E,4Z)-2-(4-methoxybenzoyl)-4-(3-methyl-1,3-benzoxazol-2-ylidene)but-2-enoate
CID 164760887
[3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 126585525
2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 163301307

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate?
The IUPAC name of [(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate (CID 89191635) is [(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate?
The canonical SMILES for [(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate is C=C(C)C(=O)O/C=C\OOCCOC(=O)C(=O)c1ccc(OC)cc1.
What is the InChIKey of [(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate?
The InChIKey is WWCWJUYRRLNCNC-NTMALXAHSA-N. The full InChI is InChI=1S/C17H18O8/c1-12(2)16(19)22-8-10-24-25-11-9-23-17(20)15(18)13-4-6-14(21-3)7-5-13/h4-8,10H,1,9,11H2,2-3H3/b10-8-.
What are the key properties of [(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate?
[(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate has a molecular weight of 350.32 g/mol, XLogP of 1.96, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-[2-[2-(4-methoxyphenyl)-2-oxoacetyl]oxyethylperoxy]ethenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 89191635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).