2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate

C9H10O5 — CID 87318854

IUPAC2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)OC(=O)C(=C)C
InChIInChI=1S/C9H10O5/c1-5(2)7(10)13-9(12)14-8(11)6(3)4/h1,3H2,2,4H3
InChIKeyHSJJFHQWDUYCPM-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.35
Rot. Bonds2

About 2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate

2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate (PubChem CID 87318854) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate
PubChem CID87318854
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)OC(=O)C(=C)C
InChIInChI=1S/C9H10O5/c1-5(2)7(10)13-9(12)14-8(11)6(3)4/h1,3H2,2,4H3
InChIKeyHSJJFHQWDUYCPM-UHFFFAOYSA-N
XLogP1.35
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methacrylic anhydride
CID 12974
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Methylene dimethacrylate
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Sodium 2-methylprop-2-enoate--methyl 2-methylprop-2-enoate (1/1/1)
CID 23673661
Methoxymethyl methacrylate
CID 88508
Ethane-1,1-diyl bis(2-methylprop-2-enoate)
CID 21226384
Fluorocarbon methacrylate
CID 129722416
2,2-Propandiol-Dimethacrylat
CID 19428976
Methoxydiethoxyethyl methacrylate
CID 19792354
2-[(Methoxycarbonyl)oxy]ethyl 2-methylprop-2-enoate
CID 21696399
Butoxymethylmethacrylate
CID 21900868
Propane trimethacrylate
CID 53435526

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate (CID 87318854) is 2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(=O)OC(=O)C(=C)C.
What is the InChIKey of 2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate?
The InChIKey is HSJJFHQWDUYCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-5(2)7(10)13-9(12)14-8(11)6(3)4/h1,3H2,2,4H3.
What are the key properties of 2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate?
2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate has a molecular weight of 198.17 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyloxycarbonyl 2-methylprop-2-enoate is sourced from PubChem (CID 87318854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).