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

C9H14O6 — CID 688155

IUPACdimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC
InChIInChI=1S/C9H14O6/c1-9(2)14-5(7(10)12-3)6(15-9)8(11)13-4/h5-6H,1-4H3/t5-,6-/m1/s1
InChIKeyROZOUYVVWUTPNG-PHDIDXHHSA-N
MW218.20 g/mol
LogP-0.15
Rot. Bonds2

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

dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 688155) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
PubChem CID688155
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Namedimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC
InChIInChI=1S/C9H14O6/c1-9(2)14-5(7(10)12-3)6(15-9)8(11)13-4/h5-6H,1-4H3/t5-,6-/m1/s1
InChIKeyROZOUYVVWUTPNG-PHDIDXHHSA-N
XLogP-0.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate (CID 688155) is dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate is COC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is ROZOUYVVWUTPNG-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H14O6/c1-9(2)14-5(7(10)12-3)6(15-9)8(11)13-4/h5-6H,1-4H3/t5-,6-/m1/s1.
What are the key properties of dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate?
dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 218.20 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 688155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).