2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate

C11H16O5 — CID 176551024

IUPAC2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate
SMILESC=COC(COCCOC(=O)C=C)OC=C
InChIInChI=1S/C11H16O5/c1-4-10(12)16-8-7-13-9-11(14-5-2)15-6-3/h4-6,11H,1-3,7-9H2
InChIKeyIILKHSOTEYUHPP-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.38
Rot. Bonds10

About 2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate

2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate (PubChem CID 176551024) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate
PubChem CID176551024
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate
SMILESC=COC(COCCOC(=O)C=C)OC=C
InChIInChI=1S/C11H16O5/c1-4-10(12)16-8-7-13-9-11(14-5-2)15-6-3/h4-6,11H,1-3,7-9H2
InChIKeyIILKHSOTEYUHPP-UHFFFAOYSA-N
XLogP1.38
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-prop-2-enoyloxyethoxymethyl)propanedioic acid
CID 172861993
2-(2-aminopropoxy)ethyl prop-2-enoate
CID 54040503
2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 89425808
2-(2-bromopropoxy)ethyl prop-2-enoate
CID 57007921
bis(prop-1-ene);2-[2-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118062251
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565
ethene;2-[2-(2-prop-2-enoyloxyethoxy)-3-[2-(2-prop-2-enoyloxyethoxy)-3-[2-(2-prop-2-enoyloxyethoxy)-3-[2-(2-prop-2-enoyloxyethoxy)-3-[2-(2-prop-2-enoyloxyethoxy)-3-[2-(2-prop-2-enoyloxyethoxy)-3-prop-2-enoylperoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl prop-2-enoate
CID 161097262
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-(2-hydroperoxypropoxy)ethyl prop-2-enoate
CID 118433563
2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate
CID 165147394
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate (CID 176551024) is 2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate is C=COC(COCCOC(=O)C=C)OC=C.
What is the InChIKey of 2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate?
The InChIKey is IILKHSOTEYUHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-4-10(12)16-8-7-13-9-11(14-5-2)15-6-3/h4-6,11H,1-3,7-9H2.
What are the key properties of 2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate?
2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate has a molecular weight of 228.24 g/mol, XLogP of 1.38, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 176551024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).