diethyl 2-(2-ethoxypropanoyl)propanedioate

C12H20O6 — CID 64532812

IUPACdiethyl 2-(2-ethoxypropanoyl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C(=O)C(C)OCC
InChIInChI=1S/C12H20O6/c1-5-16-8(4)10(13)9(11(14)17-6-2)12(15)18-7-3/h8-9H,5-7H2,1-4H3
InChIKeyYVRHYYKAKITGGV-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.72
Rot. Bonds8

About diethyl 2-(2-ethoxypropanoyl)propanedioate

diethyl 2-(2-ethoxypropanoyl)propanedioate (PubChem CID 64532812) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is diethyl 2-(2-ethoxypropanoyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(2-ethoxypropanoyl)propanedioate
PubChem CID64532812
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Namediethyl 2-(2-ethoxypropanoyl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C(=O)C(C)OCC
InChIInChI=1S/C12H20O6/c1-5-16-8(4)10(13)9(11(14)17-6-2)12(15)18-7-3/h8-9H,5-7H2,1-4H3
InChIKeyYVRHYYKAKITGGV-UHFFFAOYSA-N
XLogP0.72
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-(2-methylbutanoyl)propanedioate
CID 55230175
diethyl 2-(2,2-dichloroacetyl)propanedioate
CID 170782101
amino 2-ethoxypropanoate
CID 87914402
heptyl 2-ethoxypropanoate
CID 175702782
ethyl 2-(2-ethoxypropylamino)propanoate
CID 115663940
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
4-ethoxy-2,2-dimethylpentan-3-one
CID 64540696
CID 21266963
CID 21266963
2-ethoxypropanoic acid;methane
CID 160636954
ethyl 5-ethoxy-4-oxohexanoate
CID 66324240
ethyl 2-amino-3-ethoxybutanoate
CID 163483403
ethyl 2-acetyl-3-oxobutanoate;bis(propan-2-ol);titanium
CID 159659073

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2-ethoxypropanoyl)propanedioate?
The IUPAC name of diethyl 2-(2-ethoxypropanoyl)propanedioate (CID 64532812) is diethyl 2-(2-ethoxypropanoyl)propanedioate.
What is the SMILES notation for diethyl 2-(2-ethoxypropanoyl)propanedioate?
The canonical SMILES for diethyl 2-(2-ethoxypropanoyl)propanedioate is CCOC(=O)C(C(=O)OCC)C(=O)C(C)OCC.
What is the InChIKey of diethyl 2-(2-ethoxypropanoyl)propanedioate?
The InChIKey is YVRHYYKAKITGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c1-5-16-8(4)10(13)9(11(14)17-6-2)12(15)18-7-3/h8-9H,5-7H2,1-4H3.
What are the key properties of diethyl 2-(2-ethoxypropanoyl)propanedioate?
diethyl 2-(2-ethoxypropanoyl)propanedioate has a molecular weight of 260.29 g/mol, XLogP of 0.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2-ethoxypropanoyl)propanedioate is sourced from PubChem (CID 64532812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).