ethenyl 2-prop-2-enoxyacetate

C7H10O3 — CID 18699539

IUPACethenyl 2-prop-2-enoxyacetate
SMILESC=CCOCC(=O)OC=C
InChIInChI=1S/C7H10O3/c1-3-5-9-6-7(8)10-4-2/h3-4H,1-2,5-6H2
InChIKeyQJTDCZZPCRNDEL-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.88
Rot. Bonds5

About ethenyl 2-prop-2-enoxyacetate

ethenyl 2-prop-2-enoxyacetate (PubChem CID 18699539) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is ethenyl 2-prop-2-enoxyacetate.

Molecular Properties

Compound Nameethenyl 2-prop-2-enoxyacetate
PubChem CID18699539
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Nameethenyl 2-prop-2-enoxyacetate
SMILESC=CCOCC(=O)OC=C
InChIInChI=1S/C7H10O3/c1-3-5-9-6-7(8)10-4-2/h3-4H,1-2,5-6H2
InChIKeyQJTDCZZPCRNDEL-UHFFFAOYSA-N
XLogP0.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.88
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2-prop-2-enoxyacetate?
The IUPAC name of ethenyl 2-prop-2-enoxyacetate (CID 18699539) is ethenyl 2-prop-2-enoxyacetate.
What is the SMILES notation for ethenyl 2-prop-2-enoxyacetate?
The canonical SMILES for ethenyl 2-prop-2-enoxyacetate is C=CCOCC(=O)OC=C.
What is the InChIKey of ethenyl 2-prop-2-enoxyacetate?
The InChIKey is QJTDCZZPCRNDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-5-9-6-7(8)10-4-2/h3-4H,1-2,5-6H2.
What are the key properties of ethenyl 2-prop-2-enoxyacetate?
ethenyl 2-prop-2-enoxyacetate has a molecular weight of 142.15 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-prop-2-enoxyacetate is sourced from PubChem (CID 18699539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).