ethyl 2-hydroxybut-3-enoate

C6H10O3 — CID 13271482

IUPACethyl 2-hydroxybut-3-enoate
SMILESC=CC(O)C(=O)OCC
InChIInChI=1S/C6H10O3/c1-3-5(7)6(8)9-4-2/h3,5,7H,1,4H2,2H3
InChIKeyHMCVHEYVNMVFDP-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.10
Rot. Bonds3

About ethyl 2-hydroxybut-3-enoate

ethyl 2-hydroxybut-3-enoate (PubChem CID 13271482) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is ethyl 2-hydroxybut-3-enoate.

Molecular Properties

Compound Nameethyl 2-hydroxybut-3-enoate
PubChem CID13271482
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nameethyl 2-hydroxybut-3-enoate
SMILESC=CC(O)C(=O)OCC
InChIInChI=1S/C6H10O3/c1-3-5(7)6(8)9-4-2/h3,5,7H,1,4H2,2H3
InChIKeyHMCVHEYVNMVFDP-UHFFFAOYSA-N
XLogP0.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxybut-3-enoate?
The IUPAC name of ethyl 2-hydroxybut-3-enoate (CID 13271482) is ethyl 2-hydroxybut-3-enoate.
What is the SMILES notation for ethyl 2-hydroxybut-3-enoate?
The canonical SMILES for ethyl 2-hydroxybut-3-enoate is C=CC(O)C(=O)OCC.
What is the InChIKey of ethyl 2-hydroxybut-3-enoate?
The InChIKey is HMCVHEYVNMVFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-5(7)6(8)9-4-2/h3,5,7H,1,4H2,2H3.
What are the key properties of ethyl 2-hydroxybut-3-enoate?
ethyl 2-hydroxybut-3-enoate has a molecular weight of 130.14 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxybut-3-enoate is sourced from PubChem (CID 13271482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).