ethyl 2-hydroxyprop-2-enoate

C5H8O3 — CID 11228779

IUPACethyl 2-hydroxyprop-2-enoate
SMILESC=C(O)C(=O)OCC
InChIInChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h6H,2-3H2,1H3
InChIKeyPSYUBHDPOIZRST-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.62
Rot. Bonds2

About ethyl 2-hydroxyprop-2-enoate

ethyl 2-hydroxyprop-2-enoate (PubChem CID 11228779) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is ethyl 2-hydroxyprop-2-enoate.

Molecular Properties

Compound Nameethyl 2-hydroxyprop-2-enoate
PubChem CID11228779
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Nameethyl 2-hydroxyprop-2-enoate
SMILESC=C(O)C(=O)OCC
InChIInChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h6H,2-3H2,1H3
InChIKeyPSYUBHDPOIZRST-UHFFFAOYSA-N
XLogP0.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxyprop-2-enoate?
The IUPAC name of ethyl 2-hydroxyprop-2-enoate (CID 11228779) is ethyl 2-hydroxyprop-2-enoate.
What is the SMILES notation for ethyl 2-hydroxyprop-2-enoate?
The canonical SMILES for ethyl 2-hydroxyprop-2-enoate is C=C(O)C(=O)OCC.
What is the InChIKey of ethyl 2-hydroxyprop-2-enoate?
The InChIKey is PSYUBHDPOIZRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h6H,2-3H2,1H3.
What are the key properties of ethyl 2-hydroxyprop-2-enoate?
ethyl 2-hydroxyprop-2-enoate has a molecular weight of 116.12 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxyprop-2-enoate is sourced from PubChem (CID 11228779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).