[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate

C10H10O7 — CID 87083880

IUPAC[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OOC(=O)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C10H10O7/c1-5(2)7(11)15-9(13)10(14)17-16-8(12)6(3)4/h1,3H2,2,4H3
InChIKeyPSSPQWPYBDBONZ-UHFFFAOYSA-N
MW242.18 g/mol
LogP0.21
Rot. Bonds2

About [2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate

[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate (PubChem CID 87083880) has the molecular formula C10H10O7 and a molecular weight of 242.18 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate
PubChem CID87083880
Molecular FormulaC10H10O7
Molecular Weight242.18 g/mol
Exact Mass242.04
IUPAC Name[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OOC(=O)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C10H10O7/c1-5(2)7(11)15-9(13)10(14)17-16-8(12)6(3)4/h1,3H2,2,4H3
InChIKeyPSSPQWPYBDBONZ-UHFFFAOYSA-N
XLogP0.21
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
prop-1-en-2-yl 2-methylprop-2-eneperoxoate
CID 175421471
bis(2-methylprop-2-enoic acid);2-methylprop-2-enoylperoxycarbonyl 2-methylprop-2-enoate
CID 87087130
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
prop-1-en-2-yl 2-methylprop-2-enoate;silane
CID 173354947
sodium;acetyl 2-methylprop-2-enoate;hydride
CID 174757857
2-methylprop-2-enoyloxymethanethioic S-acid
CID 175561499
acetyl 2-methylprop-2-eneperoxoate;phosphoric acid
CID 88670012
disulfanylethane;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174917305
2-(2-hydroxyethoxy)ethanol;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174279431
acetyloxycarbonyl 2-methylprop-2-enoate
CID 118497661
but-2-en-2-yl 2-methylprop-2-enoate
CID 57052528

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate (CID 87083880) is [2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate is C=C(C)C(=O)OOC(=O)C(=O)OC(=O)C(=C)C.
What is the InChIKey of [2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate?
The InChIKey is PSSPQWPYBDBONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O7/c1-5(2)7(11)15-9(13)10(14)17-16-8(12)6(3)4/h1,3H2,2,4H3.
What are the key properties of [2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate?
[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate has a molecular weight of 242.18 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate is sourced from PubChem (CID 87083880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).