diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate

C14H24O6 — CID 67554415

IUPACdiethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate
SMILESCCOC(=O)C(OCCC1CCOCC1)C(=O)OCC
InChIInChI=1S/C14H24O6/c1-3-18-13(15)12(14(16)19-4-2)20-10-7-11-5-8-17-9-6-11/h11-12H,3-10H2,1-2H3
InChIKeyANOKGTSYRRJSHG-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.31
Rot. Bonds8

About diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate

diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate (PubChem CID 67554415) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate.

Molecular Properties

Compound Namediethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate
PubChem CID67554415
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Namediethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate
SMILESCCOC(=O)C(OCCC1CCOCC1)C(=O)OCC
InChIInChI=1S/C14H24O6/c1-3-18-13(15)12(14(16)19-4-2)20-10-7-11-5-8-17-9-6-11/h11-12H,3-10H2,1-2H3
InChIKeyANOKGTSYRRJSHG-UHFFFAOYSA-N
XLogP1.31
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyclopentylpropoxy)-3-ethoxy-3-oxopropanoic acid
CID 54245695
1-(oxan-4-yl)hexan-3-one
CID 62385519
ethyl 2-(oxan-4-ylmethylamino)butanoate
CID 64670157
ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate
CID 106204429
ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate
CID 115142074
4-(oxan-4-yl)butyl propanoate
CID 142409107
ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
CID 115001681
ethyl 2-(oxolan-3-ylmethoxy)pentanoate
CID 83038452
3-ethoxy-2-(oxan-4-yl)-3-oxopropanoic acid
CID 103973485
ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
CID 66206954
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
methyl (2R)-2-amino-4-(oxan-4-yl)butanoate
CID 27282389

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate?
The IUPAC name of diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate (CID 67554415) is diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate.
What is the SMILES notation for diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate?
The canonical SMILES for diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate is CCOC(=O)C(OCCC1CCOCC1)C(=O)OCC.
What is the InChIKey of diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate?
The InChIKey is ANOKGTSYRRJSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-3-18-13(15)12(14(16)19-4-2)20-10-7-11-5-8-17-9-6-11/h11-12H,3-10H2,1-2H3.
What are the key properties of diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate?
diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate has a molecular weight of 288.34 g/mol, XLogP of 1.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate is sourced from PubChem (CID 67554415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).