diethyl 2-propan-2-yloxypropanedioate

C10H18O5 — CID 15638223

IUPACdiethyl 2-propan-2-yloxypropanedioate
SMILESCCOC(=O)C(OC(C)C)C(=O)OCC
InChIInChI=1S/C10H18O5/c1-5-13-9(11)8(15-7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H3
InChIKeyXQCDGJRXTXUVGG-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.91
Rot. Bonds6

About diethyl 2-propan-2-yloxypropanedioate

diethyl 2-propan-2-yloxypropanedioate (PubChem CID 15638223) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is diethyl 2-propan-2-yloxypropanedioate.

Molecular Properties

Compound Namediethyl 2-propan-2-yloxypropanedioate
PubChem CID15638223
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namediethyl 2-propan-2-yloxypropanedioate
SMILESCCOC(=O)C(OC(C)C)C(=O)OCC
InChIInChI=1S/C10H18O5/c1-5-13-9(11)8(15-7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H3
InChIKeyXQCDGJRXTXUVGG-UHFFFAOYSA-N
XLogP0.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-propan-2-yloxypropanedioate?
The IUPAC name of diethyl 2-propan-2-yloxypropanedioate (CID 15638223) is diethyl 2-propan-2-yloxypropanedioate.
What is the SMILES notation for diethyl 2-propan-2-yloxypropanedioate?
The canonical SMILES for diethyl 2-propan-2-yloxypropanedioate is CCOC(=O)C(OC(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-propan-2-yloxypropanedioate?
The InChIKey is XQCDGJRXTXUVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-5-13-9(11)8(15-7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of diethyl 2-propan-2-yloxypropanedioate?
diethyl 2-propan-2-yloxypropanedioate has a molecular weight of 218.25 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-propan-2-yloxypropanedioate is sourced from PubChem (CID 15638223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).