dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate

C13H14O6 — CID 719737

IUPACdimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1OC(c2ccccc2)O[C@H]1C(=O)OC
InChIInChI=1S/C13H14O6/c1-16-11(14)9-10(12(15)17-2)19-13(18-9)8-6-4-3-5-7-8/h3-7,9-10,13H,1-2H3/t9-,10-/m1/s1
InChIKeyFMSYNRGOFIGJMM-NXEZZACHSA-N
MW266.25 g/mol
LogP0.82
Rot. Bonds3

About dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate

dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 719737) has the molecular formula C13H14O6 and a molecular weight of 266.25 g/mol. Its IUPAC name is dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate
PubChem CID719737
Molecular FormulaC13H14O6
Molecular Weight266.25 g/mol
Exact Mass266.08
IUPAC Namedimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1OC(c2ccccc2)O[C@H]1C(=O)OC
InChIInChI=1S/C13H14O6/c1-16-11(14)9-10(12(15)17-2)19-13(18-9)8-6-4-3-5-7-8/h3-7,9-10,13H,1-2H3/t9-,10-/m1/s1
InChIKeyFMSYNRGOFIGJMM-NXEZZACHSA-N
XLogP0.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate (CID 719737) is dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate is COC(=O)[C@@H]1OC(c2ccccc2)O[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is FMSYNRGOFIGJMM-NXEZZACHSA-N. The full InChI is InChI=1S/C13H14O6/c1-16-11(14)9-10(12(15)17-2)19-13(18-9)8-6-4-3-5-7-8/h3-7,9-10,13H,1-2H3/t9-,10-/m1/s1.
What are the key properties of dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate?
dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 266.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 719737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).