[2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate

C11H12O6 — CID 88997872

IUPAC[2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C1CC(OC(=O)COC(=O)C(=C)C)C(=O)O1
InChIInChI=1S/C11H12O6/c1-6(2)10(13)15-5-9(12)17-8-4-7(3)16-11(8)14/h8H,1,3-5H2,2H3
InChIKeyNXUZORPOHXJIDD-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.48
Rot. Bonds4

About [2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate

[2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate (PubChem CID 88997872) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is [2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
PubChem CID88997872
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Name[2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C1CC(OC(=O)COC(=O)C(=C)C)C(=O)O1
InChIInChI=1S/C11H12O6/c1-6(2)10(13)15-5-9(12)17-8-4-7(3)16-11(8)14/h8H,1,3-5H2,2H3
InChIKeyNXUZORPOHXJIDD-UHFFFAOYSA-N
XLogP0.48
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate (CID 88997872) is [2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate is C=C1CC(OC(=O)COC(=O)C(=C)C)C(=O)O1.
What is the InChIKey of [2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
The InChIKey is NXUZORPOHXJIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c1-6(2)10(13)15-5-9(12)17-8-4-7(3)16-11(8)14/h8H,1,3-5H2,2H3.
What are the key properties of [2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
[2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate has a molecular weight of 240.21 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylidene-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 88997872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).