dipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate

C13H22O7 — CID 14972312

IUPACdipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC1(C)O[C@@H](C(=O)OC(C)C)[C@H](C(=O)OC(C)C)O1
InChIInChI=1S/C13H22O7/c1-7(2)17-11(14)9-10(12(15)18-8(3)4)20-13(5,16-6)19-9/h7-10H,1-6H3/t9-,10-/m1/s1
InChIKeyVQCKTJLYVHDDII-NXEZZACHSA-N
MW290.31 g/mol
LogP0.99
Rot. Bonds5

About dipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate

dipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 14972312) has the molecular formula C13H22O7 and a molecular weight of 290.31 g/mol. Its IUPAC name is dipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate
PubChem CID14972312
Molecular FormulaC13H22O7
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC Namedipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC1(C)O[C@@H](C(=O)OC(C)C)[C@H](C(=O)OC(C)C)O1
InChIInChI=1S/C13H22O7/c1-7(2)17-11(14)9-10(12(15)18-8(3)4)20-13(5,16-6)19-9/h7-10H,1-6H3/t9-,10-/m1/s1
InChIKeyVQCKTJLYVHDDII-NXEZZACHSA-N
XLogP0.99
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate (CID 14972312) is dipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate is COC1(C)O[C@@H](C(=O)OC(C)C)[C@H](C(=O)OC(C)C)O1.
What is the InChIKey of dipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is VQCKTJLYVHDDII-NXEZZACHSA-N. The full InChI is InChI=1S/C13H22O7/c1-7(2)17-11(14)9-10(12(15)18-8(3)4)20-13(5,16-6)19-9/h7-10H,1-6H3/t9-,10-/m1/s1.
What are the key properties of dipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate?
dipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 290.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 14972312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).