diethyl 2-ethoxybutanedioate

C10H18O5 — CID 10889368

IUPACdiethyl 2-ethoxybutanedioate
SMILESCCOC(=O)CC(OCC)C(=O)OCC
InChIInChI=1S/C10H18O5/c1-4-13-8(10(12)15-6-3)7-9(11)14-5-2/h8H,4-7H2,1-3H3
InChIKeySYCKGYYABBRUOZ-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.91
Rot. Bonds7

About diethyl 2-ethoxybutanedioate

diethyl 2-ethoxybutanedioate (PubChem CID 10889368) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is diethyl 2-ethoxybutanedioate.

Molecular Properties

Compound Namediethyl 2-ethoxybutanedioate
PubChem CID10889368
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namediethyl 2-ethoxybutanedioate
SMILESCCOC(=O)CC(OCC)C(=O)OCC
InChIInChI=1S/C10H18O5/c1-4-13-8(10(12)15-6-3)7-9(11)14-5-2/h8H,4-7H2,1-3H3
InChIKeySYCKGYYABBRUOZ-UHFFFAOYSA-N
XLogP0.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-ethoxybutanedioate?
The IUPAC name of diethyl 2-ethoxybutanedioate (CID 10889368) is diethyl 2-ethoxybutanedioate.
What is the SMILES notation for diethyl 2-ethoxybutanedioate?
The canonical SMILES for diethyl 2-ethoxybutanedioate is CCOC(=O)CC(OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-ethoxybutanedioate?
The InChIKey is SYCKGYYABBRUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-4-13-8(10(12)15-6-3)7-9(11)14-5-2/h8H,4-7H2,1-3H3.
What are the key properties of diethyl 2-ethoxybutanedioate?
diethyl 2-ethoxybutanedioate has a molecular weight of 218.25 g/mol, XLogP of 0.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-ethoxybutanedioate is sourced from PubChem (CID 10889368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).