2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate

C11H16O6 — CID 20789159

IUPAC2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate
SMILESC=CC(=O)OCCOCCOC(=O)CC(C)=O
InChIInChI=1S/C11H16O6/c1-3-10(13)16-6-4-15-5-7-17-11(14)8-9(2)12/h3H,1,4-8H2,2H3
InChIKeyIPYRIWFYQIVAEE-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.25
Rot. Bonds9

About 2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate

2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate (PubChem CID 20789159) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate.

Molecular Properties

Compound Name2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate
PubChem CID20789159
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate
SMILESC=CC(=O)OCCOCCOC(=O)CC(C)=O
InChIInChI=1S/C11H16O6/c1-3-10(13)16-6-4-15-5-7-17-11(14)8-9(2)12/h3H,1,4-8H2,2H3
InChIKeyIPYRIWFYQIVAEE-UHFFFAOYSA-N
XLogP0.25
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate?
The IUPAC name of 2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate (CID 20789159) is 2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate.
What is the SMILES notation for 2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate?
The canonical SMILES for 2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate is C=CC(=O)OCCOCCOC(=O)CC(C)=O.
What is the InChIKey of 2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate?
The InChIKey is IPYRIWFYQIVAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-3-10(13)16-6-4-15-5-7-17-11(14)8-9(2)12/h3H,1,4-8H2,2H3.
What are the key properties of 2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate?
2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate has a molecular weight of 244.24 g/mol, XLogP of 0.25, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoyloxyethoxy)ethyl 3-oxobutanoate is sourced from PubChem (CID 20789159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).