diethyl 2-(oxan-2-yloxy)propanedioate

C12H20O6 — CID 19075920

IUPACdiethyl 2-(oxan-2-yloxy)propanedioate
SMILESCCOC(=O)C(OC1CCCCO1)C(=O)OCC
InChIInChI=1S/C12H20O6/c1-3-15-11(13)10(12(14)16-4-2)18-9-7-5-6-8-17-9/h9-10H,3-8H2,1-2H3
InChIKeyDDUSZLBMUJZNBO-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.02
Rot. Bonds6

About diethyl 2-(oxan-2-yloxy)propanedioate

diethyl 2-(oxan-2-yloxy)propanedioate (PubChem CID 19075920) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is diethyl 2-(oxan-2-yloxy)propanedioate.

Molecular Properties

Compound Namediethyl 2-(oxan-2-yloxy)propanedioate
PubChem CID19075920
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Namediethyl 2-(oxan-2-yloxy)propanedioate
SMILESCCOC(=O)C(OC1CCCCO1)C(=O)OCC
InChIInChI=1S/C12H20O6/c1-3-15-11(13)10(12(14)16-4-2)18-9-7-5-6-8-17-9/h9-10H,3-8H2,1-2H3
InChIKeyDDUSZLBMUJZNBO-UHFFFAOYSA-N
XLogP1.02
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(oxan-2-yloxy)propanedioate?
The IUPAC name of diethyl 2-(oxan-2-yloxy)propanedioate (CID 19075920) is diethyl 2-(oxan-2-yloxy)propanedioate.
What is the SMILES notation for diethyl 2-(oxan-2-yloxy)propanedioate?
The canonical SMILES for diethyl 2-(oxan-2-yloxy)propanedioate is CCOC(=O)C(OC1CCCCO1)C(=O)OCC.
What is the InChIKey of diethyl 2-(oxan-2-yloxy)propanedioate?
The InChIKey is DDUSZLBMUJZNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c1-3-15-11(13)10(12(14)16-4-2)18-9-7-5-6-8-17-9/h9-10H,3-8H2,1-2H3.
What are the key properties of diethyl 2-(oxan-2-yloxy)propanedioate?
diethyl 2-(oxan-2-yloxy)propanedioate has a molecular weight of 260.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(oxan-2-yloxy)propanedioate is sourced from PubChem (CID 19075920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).