[2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate

C11H14O6 — CID 123601324

IUPAC[2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OC1C(=O)OCCC1C
InChIInChI=1S/C11H14O6/c1-3-8(12)16-6-9(13)17-10-7(2)4-5-15-11(10)14/h3,7,10H,1,4-6H2,2H3
InChIKeyQYOFRFJZLHDTBF-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.21
Rot. Bonds4

About [2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate

[2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate (PubChem CID 123601324) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is [2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate
PubChem CID123601324
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name[2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OC1C(=O)OCCC1C
InChIInChI=1S/C11H14O6/c1-3-8(12)16-6-9(13)17-10-7(2)4-5-15-11(10)14/h3,7,10H,1,4-6H2,2H3
InChIKeyQYOFRFJZLHDTBF-UHFFFAOYSA-N
XLogP0.21
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.21
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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Related Compounds

[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate
CID 161191630
[2-(3-methyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate
CID 59460095
[2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate
CID 59460074
2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate
CID 20643852
[2-(4,6-dimethyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 141250973
(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate
CID 162215110
[2-[(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3-prop-2-enoyloxypropanoate;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] prop-2-enoate;[3-oxo-3-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]propyl] 2-methylprop-2-enoate
CID 160622338
[2-(1,4-dioxocan-2-yloxy)-2-oxoethyl] prop-2-enoate
CID 59638041
formaldehyde;[2-[(5-hydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate
CID 123164190
[2-oxo-2-[(3,3,6-trimethyl-4-oxo-2,3a,6,6a-tetrahydrofuro[3,4-b]furan-2-yl)oxy]ethyl] prop-2-enoate
CID 89132886
(4,4-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(4,4-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(5,5-dimethyl-2-oxooxolan-3-yl) prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;(4-methyl-2-oxooxolan-3-yl) prop-2-enoate;(5-methyl-2-oxooxolan-3-yl) prop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) prop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] prop-2-enoate
CID 158076392
[2-(1,4-oxathiepan-3-yloxy)-2-oxoethyl] prop-2-enoate
CID 59638097

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate?
The IUPAC name of [2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate (CID 123601324) is [2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate.
What is the SMILES notation for [2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate?
The canonical SMILES for [2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate is C=CC(=O)OCC(=O)OC1C(=O)OCCC1C.
What is the InChIKey of [2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate?
The InChIKey is QYOFRFJZLHDTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-3-8(12)16-6-9(13)17-10-7(2)4-5-15-11(10)14/h3,7,10H,1,4-6H2,2H3.
What are the key properties of [2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate?
[2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate has a molecular weight of 242.23 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate is sourced from PubChem (CID 123601324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).