(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol

C8H16O4 — CID 157162950

IUPAC(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
SMILESCOC1C(O)[C@@H](C)OC(C)[C@@H]1O
InChIInChI=1S/C8H16O4/c1-4-6(9)8(11-3)7(10)5(2)12-4/h4-10H,1-3H3/t4-,5?,6?,7+,8?/m1/s1
InChIKeyDYVWLGVVJJERIK-HVXQJNDXSA-N
MW176.21 g/mol
LogP-0.47
Rot. Bonds1

About (2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol

(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol (PubChem CID 157162950) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol.

Molecular Properties

Compound Name(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
PubChem CID157162950
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
SMILESCOC1C(O)[C@@H](C)OC(C)[C@@H]1O
InChIInChI=1S/C8H16O4/c1-4-6(9)8(11-3)7(10)5(2)12-4/h4-10H,1-3H3/t4-,5?,6?,7+,8?/m1/s1
InChIKeyDYVWLGVVJJERIK-HVXQJNDXSA-N
XLogP-0.47
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
CID 15558282
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
CID 130928120
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
(3S,4R)-3,5-dihydroxy-4-methoxy-6-methyloxane-2-carboxylic acid
CID 122579172
4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol
CID 58590815
[(2R,3R,4R,5R,6S)-2,5-dihydroxy-4-methoxy-6-methyloxan-3-yl] acetate
CID 91857368
(2R,4R,5R)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;bis((2R,4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol
CID 157104198
(2R,3R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 149339632
(2S,3R,4R,5R,6R)-5-fluoro-4,6-dimethoxy-2-methyloxan-3-ol
CID 130757739

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol?
The IUPAC name of (2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol (CID 157162950) is (2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol.
What is the SMILES notation for (2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol?
The canonical SMILES for (2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol is COC1C(O)[C@@H](C)OC(C)[C@@H]1O.
What is the InChIKey of (2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol?
The InChIKey is DYVWLGVVJJERIK-HVXQJNDXSA-N. The full InChI is InChI=1S/C8H16O4/c1-4-6(9)8(11-3)7(10)5(2)12-4/h4-10H,1-3H3/t4-,5?,6?,7+,8?/m1/s1.
What are the key properties of (2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol?
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol has a molecular weight of 176.21 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol is sourced from PubChem (CID 157162950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).