1-hydroxyethenyl 3-hydroxypropanoate

C5H8O4 — CID 58205660

IUPAC1-hydroxyethenyl 3-hydroxypropanoate
SMILESC=C(O)OC(=O)CCO
InChIInChI=1S/C5H8O4/c1-4(7)9-5(8)2-3-6/h6-7H,1-3H2
InChIKeyKYRNTIVVKHLAKD-UHFFFAOYSA-N
MW132.11 g/mol
LogP-0.06
Rot. Bonds3

About 1-hydroxyethenyl 3-hydroxypropanoate

1-hydroxyethenyl 3-hydroxypropanoate (PubChem CID 58205660) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is 1-hydroxyethenyl 3-hydroxypropanoate.

Molecular Properties

Compound Name1-hydroxyethenyl 3-hydroxypropanoate
PubChem CID58205660
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name1-hydroxyethenyl 3-hydroxypropanoate
SMILESC=C(O)OC(=O)CCO
InChIInChI=1S/C5H8O4/c1-4(7)9-5(8)2-3-6/h6-7H,1-3H2
InChIKeyKYRNTIVVKHLAKD-UHFFFAOYSA-N
XLogP-0.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-hydroxyethenyl 3-hydroxypropanoate?
The IUPAC name of 1-hydroxyethenyl 3-hydroxypropanoate (CID 58205660) is 1-hydroxyethenyl 3-hydroxypropanoate.
What is the SMILES notation for 1-hydroxyethenyl 3-hydroxypropanoate?
The canonical SMILES for 1-hydroxyethenyl 3-hydroxypropanoate is C=C(O)OC(=O)CCO.
What is the InChIKey of 1-hydroxyethenyl 3-hydroxypropanoate?
The InChIKey is KYRNTIVVKHLAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-4(7)9-5(8)2-3-6/h6-7H,1-3H2.
What are the key properties of 1-hydroxyethenyl 3-hydroxypropanoate?
1-hydroxyethenyl 3-hydroxypropanoate has a molecular weight of 132.11 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethenyl 3-hydroxypropanoate is sourced from PubChem (CID 58205660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).