2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate

C12H16O7 — CID 20643849

IUPAC2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCC(=O)OC1CCOC1=O
InChIInChI=1S/C12H16O7/c1-8(2)11(14)18-6-5-16-7-10(13)19-9-3-4-17-12(9)15/h9H,1,3-7H2,2H3
InChIKeyIPCYSLRNHVQGGG-UHFFFAOYSA-N
MW272.25 g/mol
LogP-0.02
Rot. Bonds7

About 2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate

2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 20643849) has the molecular formula C12H16O7 and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate
PubChem CID20643849
Molecular FormulaC12H16O7
Molecular Weight272.25 g/mol
Exact Mass272.09
IUPAC Name2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCC(=O)OC1CCOC1=O
InChIInChI=1S/C12H16O7/c1-8(2)11(14)18-6-5-16-7-10(13)19-9-3-4-17-12(9)15/h9H,1,3-7H2,2H3
InChIKeyIPCYSLRNHVQGGG-UHFFFAOYSA-N
XLogP-0.02
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate
CID 20643847
ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 143365262
2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 20643781
2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118535175
[2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 68793673
3-prop-1-en-2-yloxyoxolan-2-one
CID 145146780
(2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate
CID 70669312
hydrazine;(2-oxooxolan-3-yl) 3-[bis(2-ethoxyethyl)amino]propanoate
CID 162054409
(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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate (CID 20643849) is 2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCC(=O)OC1CCOC1=O.
What is the InChIKey of 2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is IPCYSLRNHVQGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O7/c1-8(2)11(14)18-6-5-16-7-10(13)19-9-3-4-17-12(9)15/h9H,1,3-7H2,2H3.
What are the key properties of 2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate?
2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 272.25 g/mol, XLogP of -0.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20643849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).