methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate

C12H20O8 — CID 10924286

IUPACmethyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate
SMILESCOC(=O)CC1(C(=O)OC)O[C@@](C)(OC)[C@](C)(OC)O1
InChIInChI=1S/C12H20O8/c1-10(17-5)11(2,18-6)20-12(19-10,9(14)16-4)7-8(13)15-3/h7H2,1-6H3/t10-,11-/m1/s1
InChIKeyGCIVXWCBUNCSJL-GHMZBOCLSA-N
MW292.28 g/mol
LogP0.19
Rot. Bonds5

About methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate

methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate (PubChem CID 10924286) has the molecular formula C12H20O8 and a molecular weight of 292.28 g/mol. Its IUPAC name is methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate
PubChem CID10924286
Molecular FormulaC12H20O8
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Namemethyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate
SMILESCOC(=O)CC1(C(=O)OC)O[C@@](C)(OC)[C@](C)(OC)O1
InChIInChI=1S/C12H20O8/c1-10(17-5)11(2,18-6)20-12(19-10,9(14)16-4)7-8(13)15-3/h7H2,1-6H3/t10-,11-/m1/s1
InChIKeyGCIVXWCBUNCSJL-GHMZBOCLSA-N
XLogP0.19
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate with MolForge

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Related Compounds

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CID 54398424
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methyl 2-[(3aS,4R,6S,6aR)-6-(hydroxymethyl)-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]acetate
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methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate
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CID 143088707

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate?
The IUPAC name of methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate (CID 10924286) is methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate.
What is the SMILES notation for methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate?
The canonical SMILES for methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate is COC(=O)CC1(C(=O)OC)O[C@@](C)(OC)[C@](C)(OC)O1.
What is the InChIKey of methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate?
The InChIKey is GCIVXWCBUNCSJL-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20O8/c1-10(17-5)11(2,18-6)20-12(19-10,9(14)16-4)7-8(13)15-3/h7H2,1-6H3/t10-,11-/m1/s1.
What are the key properties of methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate?
methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate has a molecular weight of 292.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate is sourced from PubChem (CID 10924286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).