[2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate

C12H16O6 — CID 68793673

IUPAC[2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC1CC(C)COC1=O
InChIInChI=1S/C12H16O6/c1-7(2)11(14)17-6-10(13)18-9-4-8(3)5-16-12(9)15/h8-9H,1,4-6H2,2-3H3
InChIKeyZONDONZLCHJRGA-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.60
Rot. Bonds4

About [2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate

[2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate (PubChem CID 68793673) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is [2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
PubChem CID68793673
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name[2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC1CC(C)COC1=O
InChIInChI=1S/C12H16O6/c1-7(2)11(14)17-6-10(13)18-9-4-8(3)5-16-12(9)15/h8-9H,1,4-6H2,2-3H3
InChIKeyZONDONZLCHJRGA-UHFFFAOYSA-N
XLogP0.60
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.60
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-(4,6-dimethyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 141250973
2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate
CID 20643849
[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate
CID 20643847
9-hydroxy-8-methoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;bis([2-[(9-methoxy-5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate);2-(2-methylprop-2-enoyloxy)acetic acid
CID 158120193
(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-oxo-2-[(4-oxo-5-oxatetracyclo[4.4.0.02,8.02,10]decan-7-yl)oxy]ethyl] 2-methylprop-2-enoate
CID 134170332
[2-[(3-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 59623366
[2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 89036882
[2-[[(2R,6S)-6-methyl-1,4-oxathian-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 129390363
[2-oxo-2-[(3,3,6-trimethyl-4-oxo-2,3a,6,6a-tetrahydrofuro[3,4-b]furan-2-yl)oxy]ethyl] 2-methylprop-2-enoate
CID 89132918
[2-[(3-methylidene-7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 88578103

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate (CID 68793673) is [2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)OC1CC(C)COC1=O.
What is the InChIKey of [2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
The InChIKey is ZONDONZLCHJRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-7(2)11(14)17-6-10(13)18-9-4-8(3)5-16-12(9)15/h8-9H,1,4-6H2,2-3H3.
What are the key properties of [2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
[2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate has a molecular weight of 256.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 68793673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).