2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate

C11H18O7 — CID 59917816

IUPAC2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate
SMILESCOCCOC(=O)CC(=O)C(C)OC(=O)C(C)O
InChIInChI=1S/C11H18O7/c1-7(12)11(15)18-8(2)9(13)6-10(14)17-5-4-16-3/h7-8,12H,4-6H2,1-3H3
InChIKeyZCSNCUUIMKKEFW-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.55
Rot. Bonds8

About 2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate

2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate (PubChem CID 59917816) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate
PubChem CID59917816
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate
SMILESCOCCOC(=O)CC(=O)C(C)OC(=O)C(C)O
InChIInChI=1S/C11H18O7/c1-7(12)11(15)18-8(2)9(13)6-10(14)17-5-4-16-3/h7-8,12H,4-6H2,1-3H3
InChIKeyZCSNCUUIMKKEFW-UHFFFAOYSA-N
XLogP-0.55
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate?
The IUPAC name of 2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate (CID 59917816) is 2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate.
What is the SMILES notation for 2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate?
The canonical SMILES for 2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate is COCCOC(=O)CC(=O)C(C)OC(=O)C(C)O.
What is the InChIKey of 2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate?
The InChIKey is ZCSNCUUIMKKEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7/c1-7(12)11(15)18-8(2)9(13)6-10(14)17-5-4-16-3/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate?
2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate has a molecular weight of 262.26 g/mol, XLogP of -0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate is sourced from PubChem (CID 59917816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).