benzyl 2-acetyloxyacetate

C11H12O4 — CID 533041

IUPACbenzyl 2-acetyloxyacetate
SMILESCC(=O)OCC(=O)OCc1ccccc1
InChIInChI=1S/C11H12O4/c1-9(12)14-8-11(13)15-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyODZBRLHIJUSHGV-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.29
Rot. Bonds4

About benzyl 2-acetyloxyacetate

benzyl 2-acetyloxyacetate (PubChem CID 533041) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is benzyl 2-acetyloxyacetate.

Molecular Properties

Compound Namebenzyl 2-acetyloxyacetate
PubChem CID533041
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namebenzyl 2-acetyloxyacetate
SMILESCC(=O)OCC(=O)OCc1ccccc1
InChIInChI=1S/C11H12O4/c1-9(12)14-8-11(13)15-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyODZBRLHIJUSHGV-UHFFFAOYSA-N
XLogP1.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-acetyloxyacetate?
The IUPAC name of benzyl 2-acetyloxyacetate (CID 533041) is benzyl 2-acetyloxyacetate.
What is the SMILES notation for benzyl 2-acetyloxyacetate?
The canonical SMILES for benzyl 2-acetyloxyacetate is CC(=O)OCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-acetyloxyacetate?
The InChIKey is ODZBRLHIJUSHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-9(12)14-8-11(13)15-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3.
What are the key properties of benzyl 2-acetyloxyacetate?
benzyl 2-acetyloxyacetate has a molecular weight of 208.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-acetyloxyacetate is sourced from PubChem (CID 533041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).