2-ethenoxyethenyl acetate

C6H8O3 — CID 57033565

IUPAC2-ethenoxyethenyl acetate
SMILESC=COC=COC(C)=O
InChIInChI=1S/C6H8O3/c1-3-8-4-5-9-6(2)7/h3-5H,1H2,2H3
InChIKeyNPOZTCRAKYJHQD-UHFFFAOYSA-N
MW128.13 g/mol
LogP1.18
Rot. Bonds3

About 2-ethenoxyethenyl acetate

2-ethenoxyethenyl acetate (PubChem CID 57033565) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-ethenoxyethenyl acetate.

Molecular Properties

Compound Name2-ethenoxyethenyl acetate
PubChem CID57033565
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name2-ethenoxyethenyl acetate
SMILESC=COC=COC(C)=O
InChIInChI=1S/C6H8O3/c1-3-8-4-5-9-6(2)7/h3-5H,1H2,2H3
InChIKeyNPOZTCRAKYJHQD-UHFFFAOYSA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyethenyl acetate?
The IUPAC name of 2-ethenoxyethenyl acetate (CID 57033565) is 2-ethenoxyethenyl acetate.
What is the SMILES notation for 2-ethenoxyethenyl acetate?
The canonical SMILES for 2-ethenoxyethenyl acetate is C=COC=COC(C)=O.
What is the InChIKey of 2-ethenoxyethenyl acetate?
The InChIKey is NPOZTCRAKYJHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-3-8-4-5-9-6(2)7/h3-5H,1H2,2H3.
What are the key properties of 2-ethenoxyethenyl acetate?
2-ethenoxyethenyl acetate has a molecular weight of 128.13 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethenyl acetate is sourced from PubChem (CID 57033565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).