methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate

C13H24O7 — CID 11437784

IUPACmethyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
SMILESCOC(=O)[C@]1(C(C)(C)O)CO[C@@](C)(OC)[C@](C)(OC)O1
InChIInChI=1S/C13H24O7/c1-10(2,15)13(9(14)16-5)8-19-11(3,17-6)12(4,18-7)20-13/h15H,8H2,1-7H3/t11-,12-,13+/m1/s1
InChIKeyRLEVFBBZLRTNIO-UPJWGTAASA-N
MW292.33 g/mol
LogP0.44
Rot. Bonds4

About methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate

methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate (PubChem CID 11437784) has the molecular formula C13H24O7 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
PubChem CID11437784
Molecular FormulaC13H24O7
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Namemethyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
SMILESCOC(=O)[C@]1(C(C)(C)O)CO[C@@](C)(OC)[C@](C)(OC)O1
InChIInChI=1S/C13H24O7/c1-10(2,15)13(9(14)16-5)8-19-11(3,17-6)12(4,18-7)20-13/h15H,8H2,1-7H3/t11-,12-,13+/m1/s1
InChIKeyRLEVFBBZLRTNIO-UPJWGTAASA-N
XLogP0.44
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate with MolForge

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Related Compounds

methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate
CID 160985152
methyl 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 14595896
methyl (4R,5R)-4,5-dimethoxy-2-(2-methoxy-2-oxoethyl)-4,5-dimethyl-1,3-dioxolane-2-carboxylate
CID 10924286
methyl 3-methyloxaziridine-3-carboxylate
CID 54398424
methane;methyl 3-methyloxetane-3-carboxylate
CID 167597787
(1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one
CID 102406005
methyl 2-methyl-5-oxo-1,4-dioxane-2-carboxylate
CID 122498790
N,2-dimethyloxirane-2-carboxamide
CID 171036085
methyl (6S)-6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylate
CID 7323297
1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone
CID 11287407
methyl 4-methyl-2-oxo-1,3,2-dioxathiolane-4-carboxylate
CID 53411487

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
The IUPAC name of methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate (CID 11437784) is methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate.
What is the SMILES notation for methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
The canonical SMILES for methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate is COC(=O)[C@]1(C(C)(C)O)CO[C@@](C)(OC)[C@](C)(OC)O1.
What is the InChIKey of methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
The InChIKey is RLEVFBBZLRTNIO-UPJWGTAASA-N. The full InChI is InChI=1S/C13H24O7/c1-10(2,15)13(9(14)16-5)8-19-11(3,17-6)12(4,18-7)20-13/h15H,8H2,1-7H3/t11-,12-,13+/m1/s1.
What are the key properties of methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate is sourced from PubChem (CID 11437784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).