diethyl 2-(2-propoxyethyl)propanedioate

C12H22O5 — CID 106454926

IUPACdiethyl 2-(2-propoxyethyl)propanedioate
SMILESCCCOCCC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C12H22O5/c1-4-8-15-9-7-10(11(13)16-5-2)12(14)17-6-3/h10H,4-9H2,1-3H3
InChIKeyUBNQJPOSTSEOLZ-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.55
Rot. Bonds9

About diethyl 2-(2-propoxyethyl)propanedioate

diethyl 2-(2-propoxyethyl)propanedioate (PubChem CID 106454926) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is diethyl 2-(2-propoxyethyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(2-propoxyethyl)propanedioate
PubChem CID106454926
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Namediethyl 2-(2-propoxyethyl)propanedioate
SMILESCCCOCCC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C12H22O5/c1-4-8-15-9-7-10(11(13)16-5-2)12(14)17-6-3/h10H,4-9H2,1-3H3
InChIKeyUBNQJPOSTSEOLZ-UHFFFAOYSA-N
XLogP1.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate
CID 25178903
1-O-ethyl 3-O-propyl 2-propylpropanedioate
CID 175366314
butane-1,1-diol;ethyl acetate;1-propoxypropane
CID 87071241
ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
CID 63686784
diethyl 2-(2-bromoethyl)propanedioate
CID 19738440
ethyl acetate;methanol;1-propoxypropane
CID 175234331
bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate
CID 101278843
diethyl 2-[2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]ethyl]propanedioate
CID 5347945
diethyl 2-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]propanedioate
CID 2923934
tetraethyl (1,3-13C2)propane-1,1,3,3-tetracarboxylate
CID 76973343
ethyl (2S)-2-amino-4-ethoxybutanoate
CID 22839428
bis(3-ethoxypropyl) 2-propylpropanedioate
CID 101278733

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2-propoxyethyl)propanedioate?
The IUPAC name of diethyl 2-(2-propoxyethyl)propanedioate (CID 106454926) is diethyl 2-(2-propoxyethyl)propanedioate.
What is the SMILES notation for diethyl 2-(2-propoxyethyl)propanedioate?
The canonical SMILES for diethyl 2-(2-propoxyethyl)propanedioate is CCCOCCC(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-(2-propoxyethyl)propanedioate?
The InChIKey is UBNQJPOSTSEOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-4-8-15-9-7-10(11(13)16-5-2)12(14)17-6-3/h10H,4-9H2,1-3H3.
What are the key properties of diethyl 2-(2-propoxyethyl)propanedioate?
diethyl 2-(2-propoxyethyl)propanedioate has a molecular weight of 246.30 g/mol, XLogP of 1.55, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2-propoxyethyl)propanedioate is sourced from PubChem (CID 106454926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).