ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate

C8H12O5 — CID 90238503

IUPACethyl 2-hydroxy-2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OC(C)(O)C(=O)OCC
InChIInChI=1S/C8H12O5/c1-4-6(9)13-8(3,11)7(10)12-5-2/h4,11H,1,5H2,2-3H3
InChIKeyZPLJNOQAHHLQPM-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.01
Rot. Bonds4

About ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate

ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate (PubChem CID 90238503) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-prop-2-enoyloxypropanoate
PubChem CID90238503
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Nameethyl 2-hydroxy-2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OC(C)(O)C(=O)OCC
InChIInChI=1S/C8H12O5/c1-4-6(9)13-8(3,11)7(10)12-5-2/h4,11H,1,5H2,2-3H3
InChIKeyZPLJNOQAHHLQPM-UHFFFAOYSA-N
XLogP-0.01
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

sodium;hydride;2-hydroxy-2-prop-2-enoyloxypropanoic acid
CID 174879877
ethenamine;ethyl prop-2-enoate
CID 22022699
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethyl prop-2-enoate;hydroiodide
CID 159738872
(3-amino-3-hydroxy-2-methylpentan-2-yl) prop-2-enoate
CID 87534109
2-(2-methyl-2-prop-2-enoyloxypropanoyl)oxyethyl 2-methyl-2-prop-2-enoyloxypropanoate
CID 141069270
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
tert-butyl prop-2-enoate
CID 158231977
ethene;ethyl prop-2-enoate;urea
CID 22098038

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate?
The IUPAC name of ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate (CID 90238503) is ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate?
The canonical SMILES for ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate is C=CC(=O)OC(C)(O)C(=O)OCC.
What is the InChIKey of ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate?
The InChIKey is ZPLJNOQAHHLQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-4-6(9)13-8(3,11)7(10)12-5-2/h4,11H,1,5H2,2-3H3.
What are the key properties of ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate?
ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate has a molecular weight of 188.18 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate is sourced from PubChem (CID 90238503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).