diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate

C15H28O7 — CID 25178903

IUPACdiethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate
SMILESCCOCCOCCOCCC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H28O7/c1-4-18-9-10-20-12-11-19-8-7-13(14(16)21-5-2)15(17)22-6-3/h13H,4-12H2,1-3H3
InChIKeyZYJVYTZVCCUNNS-UHFFFAOYSA-N
MW320.38 g/mol
LogP1.19
Rot. Bonds14

About diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate

diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate (PubChem CID 25178903) has the molecular formula C15H28O7 and a molecular weight of 320.38 g/mol. Its IUPAC name is diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate
PubChem CID25178903
Molecular FormulaC15H28O7
Molecular Weight320.38 g/mol
Exact Mass320.18
IUPAC Namediethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate
SMILESCCOCCOCCOCCC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H28O7/c1-4-18-9-10-20-12-11-19-8-7-13(14(16)21-5-2)15(17)22-6-3/h13H,4-12H2,1-3H3
InChIKeyZYJVYTZVCCUNNS-UHFFFAOYSA-N
XLogP1.19
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-propoxyethyl)propanedioate
CID 106454926
bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate
CID 101278843
ethyl (2S)-2-amino-4-ethoxybutanoate
CID 22839428
bis(3-ethoxypropyl) 2-propylpropanedioate
CID 101278733
1-O-ethyl 3-O-propyl 2-propylpropanedioate
CID 175366314
diethyl 2-[2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]ethyl]propanedioate
CID 5347945
bis[2-(2-butoxyethoxy)ethyl] 2-butylpropanedioate
CID 101278845
ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
CID 63686784
diethyl 2-(2-bromoethyl)propanedioate
CID 19738440
diethyl 2-[2-[2-(4-nitrophenoxy)ethoxy]ethyl]propanedioate
CID 121451855
diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate
CID 2922326
ethyl 2-ethylperoxycarbonylpentanoate
CID 174863667

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate?
The IUPAC name of diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate (CID 25178903) is diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate.
What is the SMILES notation for diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate?
The canonical SMILES for diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate is CCOCCOCCOCCC(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate?
The InChIKey is ZYJVYTZVCCUNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O7/c1-4-18-9-10-20-12-11-19-8-7-13(14(16)21-5-2)15(17)22-6-3/h13H,4-12H2,1-3H3.
What are the key properties of diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate?
diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate has a molecular weight of 320.38 g/mol, XLogP of 1.19, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate is sourced from PubChem (CID 25178903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).