2-hydroxyethyl prop-2-enoate

C5H8O3 — CID 13165

IUPAC2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO
InChIInChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2
InChIKeyOMIGHNLMNHATMP-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.29
Rot. Bonds3

About 2-hydroxyethyl prop-2-enoate

2-hydroxyethyl prop-2-enoate (PubChem CID 13165) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-hydroxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl prop-2-enoate
PubChem CID13165
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO
InChIInChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2
InChIKeyOMIGHNLMNHATMP-UHFFFAOYSA-N
XLogP-0.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-hydroxyethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxypropyl acrylate
CID 61249
2-Ethoxyethyl acrylate
CID 7827
2-Methoxyethyl acrylate
CID 18392
4-Hydroxybutyl acrylate
CID 75588
Diethylene glycol monoacrylate
CID 61642
2-Propenoic acid, 1-(hydroxymethyl)propyl ester
CID 86186
2-Butenedioic acid (2Z)-, 1-(2-hydroxyethyl) ester
CID 6433994
2-Hydroxy-1-methylethyl acrylate
CID 94246
2-Propenoic acid, 2-hydroxybutyl ester
CID 102811
2-Propenoic acid, 3-hydroxypropyl ester
CID 33101
2-Butenedioic acid (2Z)-, mono(2-(2-hydroxyethoxy)ethyl) ester
CID 6433521
Tetraethylene glycol acrylate
CID 88259

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl prop-2-enoate?
The IUPAC name of 2-hydroxyethyl prop-2-enoate (CID 13165) is 2-hydroxyethyl prop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl prop-2-enoate?
The canonical SMILES for 2-hydroxyethyl prop-2-enoate is C=CC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl prop-2-enoate?
The InChIKey is OMIGHNLMNHATMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2.
What are the key properties of 2-hydroxyethyl prop-2-enoate?
2-hydroxyethyl prop-2-enoate has a molecular weight of 116.12 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl prop-2-enoate is sourced from PubChem (CID 13165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).