[2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate

C11H16O8 — CID 161302430

IUPAC[2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate
SMILESCCOCOC(=O)COC(=O)C(C)OC(=O)C(C)=O
InChIInChI=1S/C11H16O8/c1-4-16-6-18-9(13)5-17-11(15)8(3)19-10(14)7(2)12/h8H,4-6H2,1-3H3
InChIKeyVXTMQIQORJBQDD-UHFFFAOYSA-N
MW276.24 g/mol
LogP-0.41
Rot. Bonds8

About [2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate

[2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate (PubChem CID 161302430) has the molecular formula C11H16O8 and a molecular weight of 276.24 g/mol. Its IUPAC name is [2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate.

Molecular Properties

Compound Name[2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate
PubChem CID161302430
Molecular FormulaC11H16O8
Molecular Weight276.24 g/mol
Exact Mass276.08
IUPAC Name[2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate
SMILESCCOCOC(=O)COC(=O)C(C)OC(=O)C(C)=O
InChIInChI=1S/C11H16O8/c1-4-16-6-18-9(13)5-17-11(15)8(3)19-10(14)7(2)12/h8H,4-6H2,1-3H3
InChIKeyVXTMQIQORJBQDD-UHFFFAOYSA-N
XLogP-0.41
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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 [2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate?
The IUPAC name of [2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate (CID 161302430) is [2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate.
What is the SMILES notation for [2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate?
The canonical SMILES for [2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate is CCOCOC(=O)COC(=O)C(C)OC(=O)C(C)=O.
What is the InChIKey of [2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate?
The InChIKey is VXTMQIQORJBQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O8/c1-4-16-6-18-9(13)5-17-11(15)8(3)19-10(14)7(2)12/h8H,4-6H2,1-3H3.
What are the key properties of [2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate?
[2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate has a molecular weight of 276.24 g/mol, XLogP of -0.41, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate is sourced from PubChem (CID 161302430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).