diethyl 2-(1-ethoxy-2-oxopentyl)propanedioate

C14H24O6 — CID 45382052

IUPACdiethyl 2-(1-ethoxy-2-oxopentyl)propanedioate
SMILESCCCC(=O)C(OCC)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C14H24O6/c1-5-9-10(15)12(18-6-2)11(13(16)19-7-3)14(17)20-8-4/h11-12H,5-9H2,1-4H3
InChIKeyUAUXKBXDZNBAKH-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.50
Rot. Bonds10

About diethyl 2-(1-ethoxy-2-oxopentyl)propanedioate

diethyl 2-(1-ethoxy-2-oxopentyl)propanedioate (PubChem CID 45382052) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is diethyl 2-(1-ethoxy-2-oxopentyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(1-ethoxy-2-oxopentyl)propanedioate
PubChem CID45382052
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Namediethyl 2-(1-ethoxy-2-oxopentyl)propanedioate
SMILESCCCC(=O)C(OCC)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C14H24O6/c1-5-9-10(15)12(18-6-2)11(13(16)19-7-3)14(17)20-8-4/h11-12H,5-9H2,1-4H3
InChIKeyUAUXKBXDZNBAKH-UHFFFAOYSA-N
XLogP1.50
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.50
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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Frequently Asked Questions

What is the IUPAC name of diethyl 2-(1-ethoxy-2-oxopentyl)propanedioate?
The IUPAC name of diethyl 2-(1-ethoxy-2-oxopentyl)propanedioate (CID 45382052) is diethyl 2-(1-ethoxy-2-oxopentyl)propanedioate.
What is the SMILES notation for diethyl 2-(1-ethoxy-2-oxopentyl)propanedioate?
The canonical SMILES for diethyl 2-(1-ethoxy-2-oxopentyl)propanedioate is CCCC(=O)C(OCC)C(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-(1-ethoxy-2-oxopentyl)propanedioate?
The InChIKey is UAUXKBXDZNBAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-5-9-10(15)12(18-6-2)11(13(16)19-7-3)14(17)20-8-4/h11-12H,5-9H2,1-4H3.
What are the key properties of diethyl 2-(1-ethoxy-2-oxopentyl)propanedioate?
diethyl 2-(1-ethoxy-2-oxopentyl)propanedioate has a molecular weight of 288.34 g/mol, XLogP of 1.50, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(1-ethoxy-2-oxopentyl)propanedioate is sourced from PubChem (CID 45382052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).