[2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate

C11H16O6 — CID 59638041

IUPAC[2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OC1COCCCCO1
InChIInChI=1S/C11H16O6/c1-2-9(12)16-7-10(13)17-11-8-14-5-3-4-6-15-11/h2,11H,1,3-8H2
InChIKeyZTEYQJXLKPQCMT-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.41
Rot. Bonds4

About [2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate

[2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate (PubChem CID 59638041) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is [2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate
PubChem CID59638041
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name[2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OC1COCCCCO1
InChIInChI=1S/C11H16O6/c1-2-9(12)16-7-10(13)17-11-8-14-5-3-4-6-15-11/h2,11H,1,3-8H2
InChIKeyZTEYQJXLKPQCMT-UHFFFAOYSA-N
XLogP0.41
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate?
The IUPAC name of [2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate (CID 59638041) is [2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate.
What is the SMILES notation for [2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate?
The canonical SMILES for [2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate is C=CC(=O)OCC(=O)OC1COCCCCO1.
What is the InChIKey of [2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate?
The InChIKey is ZTEYQJXLKPQCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-2-9(12)16-7-10(13)17-11-8-14-5-3-4-6-15-11/h2,11H,1,3-8H2.
What are the key properties of [2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate?
[2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate has a molecular weight of 244.24 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate is sourced from PubChem (CID 59638041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).