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

C17H20O6 — CID 54092539

IUPACdiethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCCOC(=O)[C@@H]1OC(C=Cc2ccccc2)O[C@H]1C(=O)OCC
InChIInChI=1S/C17H20O6/c1-3-20-16(18)14-15(17(19)21-4-2)23-13(22-14)11-10-12-8-6-5-7-9-12/h5-11,13-15H,3-4H2,1-2H3/t14-,15-/m1/s1
InChIKeyMUVYHFNWRKGDPV-HUUCEWRRSA-N
MW320.34 g/mol
LogP1.94
Rot. Bonds6

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

diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 54092539) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate
PubChem CID54092539
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Namediethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCCOC(=O)[C@@H]1OC(C=Cc2ccccc2)O[C@H]1C(=O)OCC
InChIInChI=1S/C17H20O6/c1-3-20-16(18)14-15(17(19)21-4-2)23-13(22-14)11-10-12-8-6-5-7-9-12/h5-11,13-15H,3-4H2,1-2H3/t14-,15-/m1/s1
InChIKeyMUVYHFNWRKGDPV-HUUCEWRRSA-N
XLogP1.94
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[(E)-2-phenylethenyl]-1,4-dioxane-2-carboxylate
CID 91748647
ethyl 3-benzyloxirane-2-carboxylate
CID 526766
ethyl (2S,3R)-3-(2-methylphenyl)oxirane-2-carboxylate
CID 101190236
diethyl (2S,3S)-oxirane-2,3-dicarboxylate
CID 7021072
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
ethyl 3-(phenylcarbamoyl)oxirane-2-carboxylate
CID 13150800
CID 131848895
CID 131848895
diethyl 2-phenyl-1,3,2-dioxaborolane-4,5-dicarboxylate
CID 134849407
trans-diethyl (2S,3S)-2-ethyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate
CID 101382561
ethyl (2R,3S)-3-[(S)-hydroxy(phenyl)methyl]oxirane-2-carboxylate
CID 101423179
ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate
CID 10513963

Frequently Asked Questions

What is the IUPAC name of diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate (CID 54092539) is diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate is CCOC(=O)[C@@H]1OC(C=Cc2ccccc2)O[C@H]1C(=O)OCC.
What is the InChIKey of diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is MUVYHFNWRKGDPV-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H20O6/c1-3-20-16(18)14-15(17(19)21-4-2)23-13(22-14)11-10-12-8-6-5-7-9-12/h5-11,13-15H,3-4H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate?
diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 320.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 54092539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).