methyl 2-prop-2-enoxyacetate

C6H10O3 — CID 11973978

IUPACmethyl 2-prop-2-enoxyacetate
SMILESC=CCOCC(=O)OC
InChIInChI=1S/C6H10O3/c1-3-4-9-5-6(7)8-2/h3H,1,4-5H2,2H3
InChIKeyWTZZKRFPAXYNTE-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.36
Rot. Bonds4

About methyl 2-prop-2-enoxyacetate

methyl 2-prop-2-enoxyacetate (PubChem CID 11973978) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is methyl 2-prop-2-enoxyacetate.

Molecular Properties

Compound Namemethyl 2-prop-2-enoxyacetate
PubChem CID11973978
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namemethyl 2-prop-2-enoxyacetate
SMILESC=CCOCC(=O)OC
InChIInChI=1S/C6H10O3/c1-3-4-9-5-6(7)8-2/h3H,1,4-5H2,2H3
InChIKeyWTZZKRFPAXYNTE-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-2-enoxyacetate?
The IUPAC name of methyl 2-prop-2-enoxyacetate (CID 11973978) is methyl 2-prop-2-enoxyacetate.
What is the SMILES notation for methyl 2-prop-2-enoxyacetate?
The canonical SMILES for methyl 2-prop-2-enoxyacetate is C=CCOCC(=O)OC.
What is the InChIKey of methyl 2-prop-2-enoxyacetate?
The InChIKey is WTZZKRFPAXYNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-4-9-5-6(7)8-2/h3H,1,4-5H2,2H3.
What are the key properties of methyl 2-prop-2-enoxyacetate?
methyl 2-prop-2-enoxyacetate has a molecular weight of 130.14 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-2-enoxyacetate is sourced from PubChem (CID 11973978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).