[2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate

C11H14O6 — CID 59460074

IUPAC[2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OC1OC(=O)C(C)C1C
InChIInChI=1S/C11H14O6/c1-4-8(12)15-5-9(13)16-11-7(3)6(2)10(14)17-11/h4,6-7,11H,1,5H2,2-3H3
InChIKeyNVRWTOYSKXYEEX-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.41
Rot. Bonds4

About [2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate

[2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate (PubChem CID 59460074) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is [2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate
PubChem CID59460074
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name[2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OC1OC(=O)C(C)C1C
InChIInChI=1S/C11H14O6/c1-4-8(12)15-5-9(13)16-11-7(3)6(2)10(14)17-11/h4,6-7,11H,1,5H2,2-3H3
InChIKeyNVRWTOYSKXYEEX-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
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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Related Compounds

[2-(3-methyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate
CID 59460095
[2-[(3-ethyl-6-methyl-4-oxo-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-2-yl)oxy]-2-oxoethyl] prop-2-enoate
CID 89132889
[2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate
CID 123601324
[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
(3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate
CID 59460099
[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
formaldehyde;[2-[(5-hydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate
CID 123164190
[2-[(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] prop-2-enoate
CID 59623140
(5-methyl-2-oxooxolan-3-yl)methyl prop-2-enoate
CID 163217032
(2-ethenoxy-2-oxoethyl) prop-2-enoate
CID 18411317
[2-[(3-formyloxy-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] prop-2-enoate
CID 88872558
[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate
CID 150021563

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate?
The IUPAC name of [2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate (CID 59460074) is [2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate.
What is the SMILES notation for [2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate?
The canonical SMILES for [2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate is C=CC(=O)OCC(=O)OC1OC(=O)C(C)C1C.
What is the InChIKey of [2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate?
The InChIKey is NVRWTOYSKXYEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-4-8(12)15-5-9(13)16-11-7(3)6(2)10(14)17-11/h4,6-7,11H,1,5H2,2-3H3.
What are the key properties of [2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate?
[2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate has a molecular weight of 242.23 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-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate is sourced from PubChem (CID 59460074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).