dimethyl 2,5-diethyloxolane-3,4-dicarboxylate

C12H20O5 — CID 21351633

IUPACdimethyl 2,5-diethyloxolane-3,4-dicarboxylate
SMILESCCC1OC(CC)C(C(=O)OC)C1C(=O)OC
InChIInChI=1S/C12H20O5/c1-5-7-9(11(13)15-3)10(12(14)16-4)8(6-2)17-7/h7-10H,5-6H2,1-4H3
InChIKeyUDCGQASKYLQUSL-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.15
Rot. Bonds4

About dimethyl 2,5-diethyloxolane-3,4-dicarboxylate

dimethyl 2,5-diethyloxolane-3,4-dicarboxylate (PubChem CID 21351633) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is dimethyl 2,5-diethyloxolane-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,5-diethyloxolane-3,4-dicarboxylate
PubChem CID21351633
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Namedimethyl 2,5-diethyloxolane-3,4-dicarboxylate
SMILESCCC1OC(CC)C(C(=O)OC)C1C(=O)OC
InChIInChI=1S/C12H20O5/c1-5-7-9(11(13)15-3)10(12(14)16-4)8(6-2)17-7/h7-10H,5-6H2,1-4H3
InChIKeyUDCGQASKYLQUSL-UHFFFAOYSA-N
XLogP1.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,5-diethyloxolane-3,4-dicarboxylate?
The IUPAC name of dimethyl 2,5-diethyloxolane-3,4-dicarboxylate (CID 21351633) is dimethyl 2,5-diethyloxolane-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2,5-diethyloxolane-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2,5-diethyloxolane-3,4-dicarboxylate is CCC1OC(CC)C(C(=O)OC)C1C(=O)OC.
What is the InChIKey of dimethyl 2,5-diethyloxolane-3,4-dicarboxylate?
The InChIKey is UDCGQASKYLQUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-5-7-9(11(13)15-3)10(12(14)16-4)8(6-2)17-7/h7-10H,5-6H2,1-4H3.
What are the key properties of dimethyl 2,5-diethyloxolane-3,4-dicarboxylate?
dimethyl 2,5-diethyloxolane-3,4-dicarboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,5-diethyloxolane-3,4-dicarboxylate is sourced from PubChem (CID 21351633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).