methyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate

C10H16O5 — CID 19871668

IUPACmethyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate
SMILESCOCC(=O)C(C(=O)OC)C(C)C(C)=O
InChIInChI=1S/C10H16O5/c1-6(7(2)11)9(10(13)15-4)8(12)5-14-3/h6,9H,5H2,1-4H3
InChIKeyYPVKDFSYIGSGLJ-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.22
Rot. Bonds6

About methyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate

methyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate (PubChem CID 19871668) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is methyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate
PubChem CID19871668
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namemethyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate
SMILESCOCC(=O)C(C(=O)OC)C(C)C(C)=O
InChIInChI=1S/C10H16O5/c1-6(7(2)11)9(10(13)15-4)8(12)5-14-3/h6,9H,5H2,1-4H3
InChIKeyYPVKDFSYIGSGLJ-UHFFFAOYSA-N
XLogP0.22
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,4-Diethyl 2,3-diacetylbutanedioate
CID 95399
Ethyl 2-acetyl-3-methyl-4-oxopentanoate
CID 14689360
Triethyl 1-oxopropane-1,2,3-tricarboxylate
CID 13176784
Butanedioic acid, ethyloxo-, diethyl ester
CID 12256260
Dimethyl 2,3-diacetylsuccinate
CID 3018521
Diethyl 2-butyl-3-oxobutanedioate
CID 251159
Diethyl 2-acetyl-3-methylbutanedioate
CID 12354293
Triethyl 1-oxobutane-1,2,3-tricarboxylate
CID 225948
Diethyl 2-propionylsuccinate
CID 2801304
Diethyl 2-oxo-3-(2-oxopropyl)butanedioate
CID 260100
Ethoxyoxalylpentanoic acid
CID 129815585
3-O-ethyl 1-O,1-O-dimethyl (2R)-2-methyl-3-oxopropane-1,1,3-tricarboxylate
CID 166441936

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate?
The IUPAC name of methyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate (CID 19871668) is methyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate.
What is the SMILES notation for methyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate?
The canonical SMILES for methyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate is COCC(=O)C(C(=O)OC)C(C)C(C)=O.
What is the InChIKey of methyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate?
The InChIKey is YPVKDFSYIGSGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-6(7(2)11)9(10(13)15-4)8(12)5-14-3/h6,9H,5H2,1-4H3.
What are the key properties of methyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate?
methyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate has a molecular weight of 216.23 g/mol, XLogP of 0.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyacetyl)-3-methyl-4-oxopentanoate is sourced from PubChem (CID 19871668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).