zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate

C12H11O6Zn+ — CID 22348574

IUPACzinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate
SMILESC=CC(=O)OCCOOc1ccccc1C(=O)[O-].[Zn+2]
InChIInChI=1S/C12H12O6.Zn/c1-2-11(13)16-7-8-17-18-10-6-4-3-5-9(10)12(14)15;/h2-6H,1,7-8H2,(H,14,15);/q;+2/p-1
InChIKeyZXRPLFFYHCJJFT-UHFFFAOYSA-M
MW316.60 g/mol
LogP0.09
Rot. Bonds7

About zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate

zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate (PubChem CID 22348574) has the molecular formula C12H11O6Zn+ and a molecular weight of 316.60 g/mol. Its IUPAC name is zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate.

Molecular Properties

Compound Namezinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate
PubChem CID22348574
Molecular FormulaC12H11O6Zn+
Molecular Weight316.60 g/mol
Exact Mass314.98
IUPAC Namezinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate
SMILESC=CC(=O)OCCOOc1ccccc1C(=O)[O-].[Zn+2]
InChIInChI=1S/C12H12O6.Zn/c1-2-11(13)16-7-8-17-18-10-6-4-3-5-9(10)12(14)15;/h2-6H,1,7-8H2,(H,14,15);/q;+2/p-1
InChIKeyZXRPLFFYHCJJFT-UHFFFAOYSA-M
XLogP0.09
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.60
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate
CID 159790873
azanium 2-(2-prop-2-enoyloxyethoxycarbonyl)benzoate
CID 172770687
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate
CID 87705823
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate
CID 88525710
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
3-(2-acetylphenoxy)propyl prop-2-enoate
CID 142301416
2-dec-9-enoxybenzoate
CID 22354189
2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate
CID 54505506
2-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048

Frequently Asked Questions

What is the IUPAC name of zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate?
The IUPAC name of zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate (CID 22348574) is zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate.
What is the SMILES notation for zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate?
The canonical SMILES for zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate is C=CC(=O)OCCOOc1ccccc1C(=O)[O-].[Zn+2].
What is the InChIKey of zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate?
The InChIKey is ZXRPLFFYHCJJFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12O6.Zn/c1-2-11(13)16-7-8-17-18-10-6-4-3-5-9(10)12(14)15;/h2-6H,1,7-8H2,(H,14,15);/q;+2/p-1.
What are the key properties of zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate?
zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate has a molecular weight of 316.60 g/mol, XLogP of 0.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate is sourced from PubChem (CID 22348574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).