diethyl 3-ethylpentanedioate

C11H20O4 — CID 18618083

IUPACdiethyl 3-ethylpentanedioate
SMILESCCOC(=O)CC(CC)CC(=O)OCC
InChIInChI=1S/C11H20O4/c1-4-9(7-10(12)14-5-2)8-11(13)15-6-3/h9H,4-8H2,1-3H3
InChIKeyUFGHTNILKVQENH-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.92
Rot. Bonds7

About diethyl 3-ethylpentanedioate

diethyl 3-ethylpentanedioate (PubChem CID 18618083) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is diethyl 3-ethylpentanedioate.

Molecular Properties

Compound Namediethyl 3-ethylpentanedioate
PubChem CID18618083
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namediethyl 3-ethylpentanedioate
SMILESCCOC(=O)CC(CC)CC(=O)OCC
InChIInChI=1S/C11H20O4/c1-4-9(7-10(12)14-5-2)8-11(13)15-6-3/h9H,4-8H2,1-3H3
InChIKeyUFGHTNILKVQENH-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl 3-ethylpentanedioate?
The IUPAC name of diethyl 3-ethylpentanedioate (CID 18618083) is diethyl 3-ethylpentanedioate.
What is the SMILES notation for diethyl 3-ethylpentanedioate?
The canonical SMILES for diethyl 3-ethylpentanedioate is CCOC(=O)CC(CC)CC(=O)OCC.
What is the InChIKey of diethyl 3-ethylpentanedioate?
The InChIKey is UFGHTNILKVQENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-9(7-10(12)14-5-2)8-11(13)15-6-3/h9H,4-8H2,1-3H3.
What are the key properties of diethyl 3-ethylpentanedioate?
diethyl 3-ethylpentanedioate has a molecular weight of 216.28 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-ethylpentanedioate is sourced from PubChem (CID 18618083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).