[(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate

C12H22O6 — CID 100973678

IUPAC[(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate
SMILESCO[C@@H]1C[C@@H](O)[C@H]([C@H](O)COC(=O)C(C)(C)C)O1
InChIInChI=1S/C12H22O6/c1-12(2,3)11(15)17-6-8(14)10-7(13)5-9(16-4)18-10/h7-10,13-14H,5-6H2,1-4H3/t7-,8-,9+,10-/m1/s1
InChIKeyGJWIRRDZFMKZDT-DOLQZWNJSA-N
MW262.30 g/mol
LogP0.06
Rot. Bonds4

About [(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate

[(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate (PubChem CID 100973678) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate
PubChem CID100973678
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name[(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate
SMILESCO[C@@H]1C[C@@H](O)[C@H]([C@H](O)COC(=O)C(C)(C)C)O1
InChIInChI=1S/C12H22O6/c1-12(2,3)11(15)17-6-8(14)10-7(13)5-9(16-4)18-10/h7-10,13-14H,5-6H2,1-4H3/t7-,8-,9+,10-/m1/s1
InChIKeyGJWIRRDZFMKZDT-DOLQZWNJSA-N
XLogP0.06
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89270965
1-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89365371
[(2R)-2-hydroxy-2-[(2S,3S,4R,5R)-3,4,5-tris(2,2-dimethylpropanoyloxy)oxolan-2-yl]ethyl] 2,2-dimethylpropanoate
CID 69116476
[(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate
CID 56958533
(2R,3R,5R)-5-methoxy-2-[(1R)-1-methoxyethyl]oxolan-3-ol
CID 15927279
methyl (2S)-2-[(2S,3R,4R)-4-hydroxy-6-methoxy-3-methyloxan-2-yl]propanoate
CID 102254197
[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527
(1R)-1-[(2R,3R,5R)-3-amino-5-methoxyoxolan-2-yl]ethanol
CID 131124380
(2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol
CID 57155261
[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate
CID 89201508
2-methylbutyl 2,2-dimethylpropanoate
CID 20746726
[2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate
CID 169049082

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate (CID 100973678) is [(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate is CO[C@@H]1C[C@@H](O)[C@H]([C@H](O)COC(=O)C(C)(C)C)O1.
What is the InChIKey of [(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate?
The InChIKey is GJWIRRDZFMKZDT-DOLQZWNJSA-N. The full InChI is InChI=1S/C12H22O6/c1-12(2,3)11(15)17-6-8(14)10-7(13)5-9(16-4)18-10/h7-10,13-14H,5-6H2,1-4H3/t7-,8-,9+,10-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate?
[(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate has a molecular weight of 262.30 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methoxyoxolan-2-yl]ethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 100973678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).