ethenyl 2,2-diacetyloxyacetate

C8H10O6 — CID 88828479

IUPACethenyl 2,2-diacetyloxyacetate
SMILESC=COC(=O)C(OC(C)=O)OC(C)=O
InChIInChI=1S/C8H10O6/c1-4-12-7(11)8(13-5(2)9)14-6(3)10/h4,8H,1H2,2-3H3
InChIKeyBRXIZTSXFISMGP-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.13
Rot. Bonds4

About ethenyl 2,2-diacetyloxyacetate

ethenyl 2,2-diacetyloxyacetate (PubChem CID 88828479) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is ethenyl 2,2-diacetyloxyacetate.

Molecular Properties

Compound Nameethenyl 2,2-diacetyloxyacetate
PubChem CID88828479
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Nameethenyl 2,2-diacetyloxyacetate
SMILESC=COC(=O)C(OC(C)=O)OC(C)=O
InChIInChI=1S/C8H10O6/c1-4-12-7(11)8(13-5(2)9)14-6(3)10/h4,8H,1H2,2-3H3
InChIKeyBRXIZTSXFISMGP-UHFFFAOYSA-N
XLogP0.13
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2,2-diacetyloxyacetate?
The IUPAC name of ethenyl 2,2-diacetyloxyacetate (CID 88828479) is ethenyl 2,2-diacetyloxyacetate.
What is the SMILES notation for ethenyl 2,2-diacetyloxyacetate?
The canonical SMILES for ethenyl 2,2-diacetyloxyacetate is C=COC(=O)C(OC(C)=O)OC(C)=O.
What is the InChIKey of ethenyl 2,2-diacetyloxyacetate?
The InChIKey is BRXIZTSXFISMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c1-4-12-7(11)8(13-5(2)9)14-6(3)10/h4,8H,1H2,2-3H3.
What are the key properties of ethenyl 2,2-diacetyloxyacetate?
ethenyl 2,2-diacetyloxyacetate has a molecular weight of 202.16 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2,2-diacetyloxyacetate is sourced from PubChem (CID 88828479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).