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

C13H22O7 — CID 14640162

IUPACdiethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCCOC(=O)[C@@H]1OC(CC)(OCC)O[C@H]1C(=O)OCC
InChIInChI=1S/C13H22O7/c1-5-13(18-8-4)19-9(11(14)16-6-2)10(20-13)12(15)17-7-3/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyVUDMGIKDOAAMFY-NXEZZACHSA-N
MW290.31 g/mol
LogP1.00
Rot. Bonds7

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

diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 14640162) has the molecular formula C13H22O7 and a molecular weight of 290.31 g/mol. Its IUPAC name is diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate
PubChem CID14640162
Molecular FormulaC13H22O7
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC Namediethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCCOC(=O)[C@@H]1OC(CC)(OCC)O[C@H]1C(=O)OCC
InChIInChI=1S/C13H22O7/c1-5-13(18-8-4)19-9(11(14)16-6-2)10(20-13)12(15)17-7-3/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyVUDMGIKDOAAMFY-NXEZZACHSA-N
XLogP1.00
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
CID 95392
(+)-Diacetyl-L-tartaric anhydride
CID 513914
Succinic acid, 2,3-diethoxy-, diethyl ester
CID 96236
Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate
CID 361323
(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 641720
(2R,3R)-Dimethyl-2,3-O-isopropylidene tartrate
CID 688155
4,5-Dimethyl (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 688156
Methyl (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 6544468
2,5-Dioxooxolane-3,4-diyl diacetate
CID 95411
Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 853434
2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 10844960
Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate
CID 245393

Frequently Asked Questions

What is the IUPAC name of diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate (CID 14640162) is diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate is CCOC(=O)[C@@H]1OC(CC)(OCC)O[C@H]1C(=O)OCC.
What is the InChIKey of diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is VUDMGIKDOAAMFY-NXEZZACHSA-N. The full InChI is InChI=1S/C13H22O7/c1-5-13(18-8-4)19-9(11(14)16-6-2)10(20-13)12(15)17-7-3/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate?
diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 290.31 g/mol, XLogP of 1.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 14640162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).