diethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate

C14H22O5 — CID 14823666

IUPACdiethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
SMILESCCOC(=O)C1C(C(=O)OCC)C2(C)CCC1(C)O2
InChIInChI=1S/C14H22O5/c1-5-17-11(15)9-10(12(16)18-6-2)14(4)8-7-13(9,3)19-14/h9-10H,5-8H2,1-4H3
InChIKeyGWMNBUIDHWMZMA-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.69
Rot. Bonds4

About diethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate

diethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate (PubChem CID 14823666) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is diethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
PubChem CID14823666
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Namediethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
SMILESCCOC(=O)C1C(C(=O)OCC)C2(C)CCC1(C)O2
InChIInChI=1S/C14H22O5/c1-5-17-11(15)9-10(12(16)18-6-2)14(4)8-7-13(9,3)19-14/h9-10H,5-8H2,1-4H3
InChIKeyGWMNBUIDHWMZMA-UHFFFAOYSA-N
XLogP1.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?
The IUPAC name of diethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate (CID 14823666) is diethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate.
What is the SMILES notation for diethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?
The canonical SMILES for diethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate is CCOC(=O)C1C(C(=O)OCC)C2(C)CCC1(C)O2.
What is the InChIKey of diethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?
The InChIKey is GWMNBUIDHWMZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-5-17-11(15)9-10(12(16)18-6-2)14(4)8-7-13(9,3)19-14/h9-10H,5-8H2,1-4H3.
What are the key properties of diethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?
diethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate has a molecular weight of 270.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate is sourced from PubChem (CID 14823666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).