bis[2-(2-ethoxyethoxy)ethyl] propanedioate

C15H28O8 — CID 164851647

IUPACbis[2-(2-ethoxyethoxy)ethyl] propanedioate
SMILESCCOCCOCCOC(=O)CC(=O)OCCOCCOCC
InChIInChI=1S/C15H28O8/c1-3-18-5-7-20-9-11-22-14(16)13-15(17)23-12-10-21-8-6-19-4-2/h3-13H2,1-2H3
InChIKeyUFBRITJOEYQCJB-UHFFFAOYSA-N
MW336.38 g/mol
LogP0.57
Rot. Bonds16

About bis[2-(2-ethoxyethoxy)ethyl] propanedioate

bis[2-(2-ethoxyethoxy)ethyl] propanedioate (PubChem CID 164851647) has the molecular formula C15H28O8 and a molecular weight of 336.38 g/mol. Its IUPAC name is bis[2-(2-ethoxyethoxy)ethyl] propanedioate.

Molecular Properties

Compound Namebis[2-(2-ethoxyethoxy)ethyl] propanedioate
PubChem CID164851647
Molecular FormulaC15H28O8
Molecular Weight336.38 g/mol
Exact Mass336.18
IUPAC Namebis[2-(2-ethoxyethoxy)ethyl] propanedioate
SMILESCCOCCOCCOC(=O)CC(=O)OCCOCCOCC
InChIInChI=1S/C15H28O8/c1-3-18-5-7-20-9-11-22-14(16)13-15(17)23-12-10-21-8-6-19-4-2/h3-13H2,1-2H3
InChIKeyUFBRITJOEYQCJB-UHFFFAOYSA-N
XLogP0.57
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-oxobutanoate
CID 87788942
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
2-ethoxyethyl 2-fluoroacetate
CID 88537895
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-(2-ethoxyethoxy)ethoxymethanethioic S-acid
CID 87914074
2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate
CID 131718681
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 23189778

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-ethoxyethoxy)ethyl] propanedioate?
The IUPAC name of bis[2-(2-ethoxyethoxy)ethyl] propanedioate (CID 164851647) is bis[2-(2-ethoxyethoxy)ethyl] propanedioate.
What is the SMILES notation for bis[2-(2-ethoxyethoxy)ethyl] propanedioate?
The canonical SMILES for bis[2-(2-ethoxyethoxy)ethyl] propanedioate is CCOCCOCCOC(=O)CC(=O)OCCOCCOCC.
What is the InChIKey of bis[2-(2-ethoxyethoxy)ethyl] propanedioate?
The InChIKey is UFBRITJOEYQCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O8/c1-3-18-5-7-20-9-11-22-14(16)13-15(17)23-12-10-21-8-6-19-4-2/h3-13H2,1-2H3.
What are the key properties of bis[2-(2-ethoxyethoxy)ethyl] propanedioate?
bis[2-(2-ethoxyethoxy)ethyl] propanedioate has a molecular weight of 336.38 g/mol, XLogP of 0.57, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-ethoxyethoxy)ethyl] propanedioate is sourced from PubChem (CID 164851647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).