(2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione

C11H16O9 — CID 19788815

IUPAC(2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione
SMILESCC1OC(=O)COC1=O.COC(=O)COC(=O)C(C)O
InChIInChI=1S/C6H10O5.C5H6O4/c1-4(7)6(9)11-3-5(8)10-2;1-3-5(7)8-2-4(6)9-3/h4,7H,3H2,1-2H3;3H,2H2,1H3
InChIKeyKANLCZFUBIQRRG-UHFFFAOYSA-N
MW292.24 g/mol
LogP-1.44
Rot. Bonds3

About (2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione

(2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione (PubChem CID 19788815) has the molecular formula C11H16O9 and a molecular weight of 292.24 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione
PubChem CID19788815
Molecular FormulaC11H16O9
Molecular Weight292.24 g/mol
Exact Mass292.08
IUPAC Name(2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione
SMILESCC1OC(=O)COC1=O.COC(=O)COC(=O)C(C)O
InChIInChI=1S/C6H10O5.C5H6O4/c1-4(7)6(9)11-3-5(8)10-2;1-3-5(7)8-2-4(6)9-3/h4,7H,3H2,1-2H3;3H,2H2,1H3
InChIKeyKANLCZFUBIQRRG-UHFFFAOYSA-N
XLogP-1.44
TPSA125.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione (CID 19788815) is (2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione is CC1OC(=O)COC1=O.COC(=O)COC(=O)C(C)O.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione?
The InChIKey is KANLCZFUBIQRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5.C5H6O4/c1-4(7)6(9)11-3-5(8)10-2;1-3-5(7)8-2-4(6)9-3/h4,7H,3H2,1-2H3;3H,2H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione?
(2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione has a molecular weight of 292.24 g/mol, XLogP of -1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-hydroxypropanoate;3-methyl-1,4-dioxane-2,5-dione is sourced from PubChem (CID 19788815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).