methyl 3-ethenoxypropanoate

C6H10O3 — CID 54238676

IUPACmethyl 3-ethenoxypropanoate
SMILESC=COCCC(=O)OC
InChIInChI=1S/C6H10O3/c1-3-9-5-4-6(7)8-2/h3H,1,4-5H2,2H3
InChIKeyQOKOTJJYPXKHJF-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.71
Rot. Bonds4

About methyl 3-ethenoxypropanoate

methyl 3-ethenoxypropanoate (PubChem CID 54238676) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is methyl 3-ethenoxypropanoate.

Molecular Properties

Compound Namemethyl 3-ethenoxypropanoate
PubChem CID54238676
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namemethyl 3-ethenoxypropanoate
SMILESC=COCCC(=O)OC
InChIInChI=1S/C6H10O3/c1-3-9-5-4-6(7)8-2/h3H,1,4-5H2,2H3
InChIKeyQOKOTJJYPXKHJF-UHFFFAOYSA-N
XLogP0.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethenoxypropanoate?
The IUPAC name of methyl 3-ethenoxypropanoate (CID 54238676) is methyl 3-ethenoxypropanoate.
What is the SMILES notation for methyl 3-ethenoxypropanoate?
The canonical SMILES for methyl 3-ethenoxypropanoate is C=COCCC(=O)OC.
What is the InChIKey of methyl 3-ethenoxypropanoate?
The InChIKey is QOKOTJJYPXKHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-9-5-4-6(7)8-2/h3H,1,4-5H2,2H3.
What are the key properties of methyl 3-ethenoxypropanoate?
methyl 3-ethenoxypropanoate has a molecular weight of 130.14 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethenoxypropanoate is sourced from PubChem (CID 54238676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).