bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate

C14H26O6 — CID 101278782

IUPACbis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate
SMILESCCOCCOC(=O)C(C)(CC)C(=O)OCCOCC
InChIInChI=1S/C14H26O6/c1-5-14(4,12(15)19-10-8-17-6-2)13(16)20-11-9-18-7-3/h5-11H2,1-4H3
InChIKeyIRIUJFAQRBQHDJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.56
Rot. Bonds11

About bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate

bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate (PubChem CID 101278782) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate.

Molecular Properties

Compound Namebis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate
PubChem CID101278782
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Namebis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate
SMILESCCOCCOC(=O)C(C)(CC)C(=O)OCCOCC
InChIInChI=1S/C14H26O6/c1-5-14(4,12(15)19-10-8-17-6-2)13(16)20-11-9-18-7-3/h5-11H2,1-4H3
InChIKeyIRIUJFAQRBQHDJ-UHFFFAOYSA-N
XLogP1.56
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-O-(2-ethoxyethyl) 1-O-ethyl 2,2-diethylpropanedioate
CID 91696123
2-ethoxyethyl 2,2,2-trifluoroacetate
CID 71672713
2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 10799452
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2-hexyl-2-methyloctanoate
CID 155411368
bis[3-(2-ethoxyethoxycarbonyl)pentan-3-yloxy]-oxophosphanium
CID 57099100
3-ethoxycarbonyl-3-methyl-2-oxopentanoic acid
CID 19882273
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
[3-[3-[3-[3-ethoxy-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropoxy]-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;[3-[2-[2-(ethoxymethyl)-3-[2-[2-[[3-hydroxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[2-[[3-hydroxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-methylpropanoyl]oxy-2-methylpropanoyl]oxyethoxy]-2-[2-[2-[2-[[3-hydroxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[2-[[3-hydroxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-methylpropanoyl]oxy-2-methylpropanoyl]oxyethoxy]ethoxymethyl]propoxy]ethoxy]-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropyl] 2-[[3-hydroxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methylbutanoate
CID 158892241
2-ethoxyethyl 2,3,3-trimethylbutanoate
CID 87160003
2-ethoxyethyl 2-amino-2-phenylpropanoate
CID 62488733
2-ethoxyethyl 2-formyl-2,4-dimethylpentanoate
CID 57075664
[3-[2-[3-(2-ethyl-2-methylbutanoyl)oxy-2-[(2-ethyl-2-methylbutanoyl)oxymethyl]-2-methylpropanoyl]oxyethoxy]-2-[(2-ethyl-2-methylbutanoyl)oxymethyl]-2-methyl-3-oxopropyl] 2-ethyl-2-methylbutanoate
CID 58085190

Frequently Asked Questions

What is the IUPAC name of bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate?
The IUPAC name of bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate (CID 101278782) is bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate.
What is the SMILES notation for bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate?
The canonical SMILES for bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate is CCOCCOC(=O)C(C)(CC)C(=O)OCCOCC.
What is the InChIKey of bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate?
The InChIKey is IRIUJFAQRBQHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c1-5-14(4,12(15)19-10-8-17-6-2)13(16)20-11-9-18-7-3/h5-11H2,1-4H3.
What are the key properties of bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate?
bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate has a molecular weight of 290.36 g/mol, XLogP of 1.56, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate is sourced from PubChem (CID 101278782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).