diethyl 2,2-dimethylpentanedioate

C11H20O4 — CID 550221

IUPACdiethyl 2,2-dimethylpentanedioate
SMILESCCOC(=O)CCC(C)(C)C(=O)OCC
InChIInChI=1S/C11H20O4/c1-5-14-9(12)7-8-11(3,4)10(13)15-6-2/h5-8H2,1-4H3
InChIKeyQIZQGVMVRZIBBS-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.92
Rot. Bonds6

About diethyl 2,2-dimethylpentanedioate

diethyl 2,2-dimethylpentanedioate (PubChem CID 550221) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is diethyl 2,2-dimethylpentanedioate.

Molecular Properties

Compound Namediethyl 2,2-dimethylpentanedioate
PubChem CID550221
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namediethyl 2,2-dimethylpentanedioate
SMILESCCOC(=O)CCC(C)(C)C(=O)OCC
InChIInChI=1S/C11H20O4/c1-5-14-9(12)7-8-11(3,4)10(13)15-6-2/h5-8H2,1-4H3
InChIKeyQIZQGVMVRZIBBS-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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 2,2-dimethylpentanedioate?
The IUPAC name of diethyl 2,2-dimethylpentanedioate (CID 550221) is diethyl 2,2-dimethylpentanedioate.
What is the SMILES notation for diethyl 2,2-dimethylpentanedioate?
The canonical SMILES for diethyl 2,2-dimethylpentanedioate is CCOC(=O)CCC(C)(C)C(=O)OCC.
What is the InChIKey of diethyl 2,2-dimethylpentanedioate?
The InChIKey is QIZQGVMVRZIBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-14-9(12)7-8-11(3,4)10(13)15-6-2/h5-8H2,1-4H3.
What are the key properties of diethyl 2,2-dimethylpentanedioate?
diethyl 2,2-dimethylpentanedioate has a molecular weight of 216.28 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,2-dimethylpentanedioate is sourced from PubChem (CID 550221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).