diethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate

C11H18O7 — CID 102275973

IUPACdiethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate
SMILESCCOC(=O)[C@H]1OC(OCC)O[C@@H]1C(=O)OCC
InChIInChI=1S/C11H18O7/c1-4-14-9(12)7-8(10(13)15-5-2)18-11(17-7)16-6-3/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyAAMNGUSKZJTJDF-YUMQZZPRSA-N
MW262.26 g/mol
LogP0.22
Rot. Bonds6

About diethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate

diethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 102275973) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is diethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate
PubChem CID102275973
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Namediethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate
SMILESCCOC(=O)[C@H]1OC(OCC)O[C@@H]1C(=O)OCC
InChIInChI=1S/C11H18O7/c1-4-14-9(12)7-8(10(13)15-5-2)18-11(17-7)16-6-3/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyAAMNGUSKZJTJDF-YUMQZZPRSA-N
XLogP0.22
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of diethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate (CID 102275973) is diethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for diethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for diethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate is CCOC(=O)[C@H]1OC(OCC)O[C@@H]1C(=O)OCC.
What is the InChIKey of diethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is AAMNGUSKZJTJDF-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H18O7/c1-4-14-9(12)7-8(10(13)15-5-2)18-11(17-7)16-6-3/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of diethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate?
diethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 262.26 g/mol, XLogP of 0.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 102275973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).