(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol

C11H22O4 — CID 11160276

IUPAC(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol
SMILESC[C@H]1C[C@@H](OC(C)(C)C)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C11H22O4/c1-7-5-8(15-11(2,3)4)10(13)9(6-12)14-7/h7-10,12-13H,5-6H2,1-4H3/t7-,8+,9+,10-/m0/s1
InChIKeyVDZHFYXNUPYGCO-JLIMGVALSA-N
MW218.29 g/mol
LogP0.70
Rot. Bonds2

About (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol

(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol (PubChem CID 11160276) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol
PubChem CID11160276
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol
SMILESC[C@H]1C[C@@H](OC(C)(C)C)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C11H22O4/c1-7-5-8(15-11(2,3)4)10(13)9(6-12)14-7/h7-10,12-13H,5-6H2,1-4H3/t7-,8+,9+,10-/m0/s1
InChIKeyVDZHFYXNUPYGCO-JLIMGVALSA-N
XLogP0.70
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol with MolForge

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Related Compounds

(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
(3S,4R,6R)-2-(hydroxymethyl)-5-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4-diol
CID 158602862
(2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol
CID 70675474
(3-ethoxy-5-methyloxolan-2-yl)methanol
CID 59687260
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
(4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 11290918
(2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid
CID 121386516
CID 161264357
CID 161264357
[6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 130148196
(4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11303051
(2R,4S,5S)-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 174111415

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol?
The IUPAC name of (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol (CID 11160276) is (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol.
What is the SMILES notation for (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol?
The canonical SMILES for (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol is C[C@H]1C[C@@H](OC(C)(C)C)[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol?
The InChIKey is VDZHFYXNUPYGCO-JLIMGVALSA-N. The full InChI is InChI=1S/C11H22O4/c1-7-5-8(15-11(2,3)4)10(13)9(6-12)14-7/h7-10,12-13H,5-6H2,1-4H3/t7-,8+,9+,10-/m0/s1.
What are the key properties of (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol?
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol has a molecular weight of 218.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol is sourced from PubChem (CID 11160276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).