2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate

C12H12O6 — CID 87705823

IUPAC2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOOC(=O)c1ccccc1O
InChIInChI=1S/C12H12O6/c1-2-11(14)16-7-8-17-18-12(15)9-5-3-4-6-10(9)13/h2-6,13H,1,7-8H2
InChIKeyPESQGEPOIMNNSC-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.21
Rot. Bonds6

About 2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate

2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate (PubChem CID 87705823) has the molecular formula C12H12O6 and a molecular weight of 252.22 g/mol. Its IUPAC name is 2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate
PubChem CID87705823
Molecular FormulaC12H12O6
Molecular Weight252.22 g/mol
Exact Mass252.06
IUPAC Name2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOOC(=O)c1ccccc1O
InChIInChI=1S/C12H12O6/c1-2-11(14)16-7-8-17-18-12(15)9-5-3-4-6-10(9)13/h2-6,13H,1,7-8H2
InChIKeyPESQGEPOIMNNSC-UHFFFAOYSA-N
XLogP1.21
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
iodomethyl 2-hydroxybenzenecarboperoxoate
CID 158310141
bis(25-prop-2-enoyloxypentacosyl) benzene-1,2-dicarboxylate
CID 101299992
bis(37-prop-2-enoyloxyheptatriacontyl) benzene-1,2-dicarboxylate
CID 101300004
azanium 2-(2-prop-2-enoyloxyethoxycarbonyl)benzoate
CID 172770687
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
zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate
CID 22348574
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
ethene;ethenyl 2-hydroxybenzoate
CID 159926426
2-chloroethyl 2-hydroxybenzoate
CID 13052757
2-O-butan-2-yl 1-O-(2-prop-2-enoyloxyethyl) benzene-1,2-dicarboxylate
CID 23517831

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate?
The IUPAC name of 2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate (CID 87705823) is 2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate.
What is the SMILES notation for 2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate?
The canonical SMILES for 2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate is C=CC(=O)OCCOOC(=O)c1ccccc1O.
What is the InChIKey of 2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate?
The InChIKey is PESQGEPOIMNNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O6/c1-2-11(14)16-7-8-17-18-12(15)9-5-3-4-6-10(9)13/h2-6,13H,1,7-8H2.
What are the key properties of 2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate?
2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate has a molecular weight of 252.22 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybenzoyl)peroxyethyl prop-2-enoate is sourced from PubChem (CID 87705823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).