ethenyl 3-hydroxypropanoate

C5H8O3 — CID 15685491

IUPACethenyl 3-hydroxypropanoate
SMILESC=COC(=O)CCO
InChIInChI=1S/C5H8O3/c1-2-8-5(7)3-4-6/h2,6H,1,3-4H2
InChIKeyQAOPGXKKOUPBDJ-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.06
Rot. Bonds3

About ethenyl 3-hydroxypropanoate

ethenyl 3-hydroxypropanoate (PubChem CID 15685491) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is ethenyl 3-hydroxypropanoate.

Molecular Properties

Compound Nameethenyl 3-hydroxypropanoate
PubChem CID15685491
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Nameethenyl 3-hydroxypropanoate
SMILESC=COC(=O)CCO
InChIInChI=1S/C5H8O3/c1-2-8-5(7)3-4-6/h2,6H,1,3-4H2
InChIKeyQAOPGXKKOUPBDJ-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl 3-hydroxypropanoate?
The IUPAC name of ethenyl 3-hydroxypropanoate (CID 15685491) is ethenyl 3-hydroxypropanoate.
What is the SMILES notation for ethenyl 3-hydroxypropanoate?
The canonical SMILES for ethenyl 3-hydroxypropanoate is C=COC(=O)CCO.
What is the InChIKey of ethenyl 3-hydroxypropanoate?
The InChIKey is QAOPGXKKOUPBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-2-8-5(7)3-4-6/h2,6H,1,3-4H2.
What are the key properties of ethenyl 3-hydroxypropanoate?
ethenyl 3-hydroxypropanoate has a molecular weight of 116.12 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-hydroxypropanoate is sourced from PubChem (CID 15685491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).