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

C14H16O7 — CID 101132793

IUPACdimethyl (4R,5R)-2-(3-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1OC(c2cccc(OC)c2)O[C@H]1C(=O)OC
InChIInChI=1S/C14H16O7/c1-17-9-6-4-5-8(7-9)14-20-10(12(15)18-2)11(21-14)13(16)19-3/h4-7,10-11,14H,1-3H3/t10-,11-/m1/s1
InChIKeyAABPBQLPWGXTOY-GHMZBOCLSA-N
MW296.28 g/mol
LogP0.82
Rot. Bonds4

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

dimethyl (4R,5R)-2-(3-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 101132793) has the molecular formula C14H16O7 and a molecular weight of 296.28 g/mol. Its IUPAC name is dimethyl (4R,5R)-2-(3-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4R,5R)-2-(3-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate
PubChem CID101132793
Molecular FormulaC14H16O7
Molecular Weight296.28 g/mol
Exact Mass296.09
IUPAC Namedimethyl (4R,5R)-2-(3-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1OC(c2cccc(OC)c2)O[C@H]1C(=O)OC
InChIInChI=1S/C14H16O7/c1-17-9-6-4-5-8(7-9)14-20-10(12(15)18-2)11(21-14)13(16)19-3/h4-7,10-11,14H,1-3H3/t10-,11-/m1/s1
InChIKeyAABPBQLPWGXTOY-GHMZBOCLSA-N
XLogP0.82
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl (4R,5R)-2-(3-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dimethyl (4R,5R)-2-(3-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate (CID 101132793) is dimethyl (4R,5R)-2-(3-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (4R,5R)-2-(3-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dimethyl (4R,5R)-2-(3-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate is COC(=O)[C@@H]1OC(c2cccc(OC)c2)O[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (4R,5R)-2-(3-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is AABPBQLPWGXTOY-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H16O7/c1-17-9-6-4-5-8(7-9)14-20-10(12(15)18-2)11(21-14)13(16)19-3/h4-7,10-11,14H,1-3H3/t10-,11-/m1/s1.
What are the key properties of dimethyl (4R,5R)-2-(3-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
dimethyl (4R,5R)-2-(3-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 296.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4R,5R)-2-(3-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 101132793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).