dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate

C14H26O6 — CID 14143488

IUPACdimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate
SMILESCOC(=O)[C@H](OC(C)(C)C)[C@@H](OC(C)(C)C)C(=O)OC
InChIInChI=1S/C14H26O6/c1-13(2,3)19-9(11(15)17-7)10(12(16)18-8)20-14(4,5)6/h9-10H,1-8H3/t9-,10-/m1/s1
InChIKeyARDUYTHRKYSXLA-NXEZZACHSA-N
MW290.36 g/mol
LogP1.70
Rot. Bonds5

About dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate

dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate (PubChem CID 14143488) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate.

Molecular Properties

Compound Namedimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate
PubChem CID14143488
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Namedimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate
SMILESCOC(=O)[C@H](OC(C)(C)C)[C@@H](OC(C)(C)C)C(=O)OC
InChIInChI=1S/C14H26O6/c1-13(2,3)19-9(11(15)17-7)10(12(16)18-8)20-14(4,5)6/h9-10H,1-8H3/t9-,10-/m1/s1
InChIKeyARDUYTHRKYSXLA-NXEZZACHSA-N
XLogP1.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,2S)-1-(2,2-dimethylpropanoyloxy)-3-methoxy-1-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 102282445
dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate
CID 59866878
methyl (2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride
CID 53393715
methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657
ditert-butyl methyl methanetricarboxylate
CID 45278404
ethane;methyl 3,3-dimethyl-2-(methylamino)butanoate
CID 144704332
3-O-tert-butyl 1-O-methyl (2S)-2-methylpropanedioate
CID 91757639
methyl (2R)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 173345702
methyl (2S)-2-amino-3-[[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]propanoate
CID 58674394
2,3-bis(2,2-dimethylpropanoyloxy)-4-methoxy-4-oxobutanoic acid
CID 146161185
methyl 3-fluoro-2-hydroxy-3-methylbutanoate
CID 15136874
dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid
CID 11370186

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate?
The IUPAC name of dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate (CID 14143488) is dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate.
What is the SMILES notation for dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate?
The canonical SMILES for dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate is COC(=O)[C@H](OC(C)(C)C)[C@@H](OC(C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate?
The InChIKey is ARDUYTHRKYSXLA-NXEZZACHSA-N. The full InChI is InChI=1S/C14H26O6/c1-13(2,3)19-9(11(15)17-7)10(12(16)18-8)20-14(4,5)6/h9-10H,1-8H3/t9-,10-/m1/s1.
What are the key properties of dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate?
dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate has a molecular weight of 290.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate is sourced from PubChem (CID 14143488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).