2-prop-2-enoxyethyl 2-ethenoxyacetate

C9H14O4 — CID 20688847

IUPAC2-prop-2-enoxyethyl 2-ethenoxyacetate
SMILESC=CCOCCOC(=O)COC=C
InChIInChI=1S/C9H14O4/c1-3-5-12-6-7-13-9(10)8-11-4-2/h3-4H,1-2,5-8H2
InChIKeyNCJATJVJQSHEND-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.89
Rot. Bonds8

About 2-prop-2-enoxyethyl 2-ethenoxyacetate

2-prop-2-enoxyethyl 2-ethenoxyacetate (PubChem CID 20688847) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-prop-2-enoxyethyl 2-ethenoxyacetate.

Molecular Properties

Compound Name2-prop-2-enoxyethyl 2-ethenoxyacetate
PubChem CID20688847
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2-prop-2-enoxyethyl 2-ethenoxyacetate
SMILESC=CCOCCOC(=O)COC=C
InChIInChI=1S/C9H14O4/c1-3-5-12-6-7-13-9(10)8-11-4-2/h3-4H,1-2,5-8H2
InChIKeyNCJATJVJQSHEND-UHFFFAOYSA-N
XLogP0.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-prop-2-enoxyethyl 2-ethenoxyacetate?
The IUPAC name of 2-prop-2-enoxyethyl 2-ethenoxyacetate (CID 20688847) is 2-prop-2-enoxyethyl 2-ethenoxyacetate.
What is the SMILES notation for 2-prop-2-enoxyethyl 2-ethenoxyacetate?
The canonical SMILES for 2-prop-2-enoxyethyl 2-ethenoxyacetate is C=CCOCCOC(=O)COC=C.
What is the InChIKey of 2-prop-2-enoxyethyl 2-ethenoxyacetate?
The InChIKey is NCJATJVJQSHEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-3-5-12-6-7-13-9(10)8-11-4-2/h3-4H,1-2,5-8H2.
What are the key properties of 2-prop-2-enoxyethyl 2-ethenoxyacetate?
2-prop-2-enoxyethyl 2-ethenoxyacetate has a molecular weight of 186.21 g/mol, XLogP of 0.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyethyl 2-ethenoxyacetate is sourced from PubChem (CID 20688847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).