2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate

C10H16O5 — CID 174581308

IUPAC2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate
SMILESC=C(OCC)C(=O)O.C=CC(=O)OCC
InChIInChI=1S/C5H8O3.C5H8O2/c1-3-8-4(2)5(6)7;1-3-5(6)7-4-2/h2-3H2,1H3,(H,6,7);3H,1,4H2,2H3
InChIKeySNLUMKGHRKAICL-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.36
Rot. Bonds5

About 2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate

2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate (PubChem CID 174581308) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate.

Molecular Properties

Compound Name2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate
PubChem CID174581308
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate
SMILESC=C(OCC)C(=O)O.C=CC(=O)OCC
InChIInChI=1S/C5H8O3.C5H8O2/c1-3-8-4(2)5(6)7;1-3-5(6)7-4-2/h2-3H2,1H3,(H,6,7);3H,1,4H2,2H3
InChIKeySNLUMKGHRKAICL-UHFFFAOYSA-N
XLogP1.36
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 174936944
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CID 22022699
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CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethene;ethyl prop-2-enoate;urea
CID 22098038
2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate
CID 175833181
chloroethene;ethene;ethyl prop-2-enoate
CID 86733401
butyl prop-2-enoate;ethyl prop-2-enoate;2-hydroxyprop-2-enoic acid
CID 87530840
pentakis(ethyl prop-2-enoate);heptakis(methyl 2-methylprop-2-enoate);heptakis(2-methylprop-2-enoic acid)
CID 173459467
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ethyl prop-2-enoate;methanesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate?
The IUPAC name of 2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate (CID 174581308) is 2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate.
What is the SMILES notation for 2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate?
The canonical SMILES for 2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate is C=C(OCC)C(=O)O.C=CC(=O)OCC.
What is the InChIKey of 2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate?
The InChIKey is SNLUMKGHRKAICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C5H8O2/c1-3-8-4(2)5(6)7;1-3-5(6)7-4-2/h2-3H2,1H3,(H,6,7);3H,1,4H2,2H3.
What are the key properties of 2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate?
2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate has a molecular weight of 216.23 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate is sourced from PubChem (CID 174581308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).