(2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol

C6H12O3 — CID 124635550

IUPAC(2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol
SMILESC[C@@H]1OC[C@@H](O)O[C@H]1C
InChIInChI=1S/C6H12O3/c1-4-5(2)9-6(7)3-8-4/h4-7H,3H2,1-2H3/t4-,5-,6-/m0/s1
InChIKeyISDVQPLEKUDGIV-ZLUOBGJFSA-N
MW132.16 g/mol
LogP0.13
Rot. Bonds

About (2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol

(2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol (PubChem CID 124635550) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol.

Molecular Properties

Compound Name(2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol
PubChem CID124635550
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol
SMILESC[C@@H]1OC[C@@H](O)O[C@H]1C
InChIInChI=1S/C6H12O3/c1-4-5(2)9-6(7)3-8-4/h4-7H,3H2,1-2H3/t4-,5-,6-/m0/s1
InChIKeyISDVQPLEKUDGIV-ZLUOBGJFSA-N
XLogP0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5R)-1,4-dioxane-2,5-diol
CID 7269377
(2S)-2-ethyl-1,3-dioxolan-4-ol
CID 59048685
(2S,3R,4R)-2-methyloxolane-3,4-diol
CID 101241466
(2R,4R,5S)-2-methyloxane-3,4,5-triol
CID 89321348
(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
CID 59378770
(2S,5R)-2-methyloxane-3,4,5-triol
CID 67963515
(2S,3S)-2,3-dimethyloxetane
CID 76764483
(2R,3R,4S)-4-fluoro-2-methyloxolan-3-ol
CID 174197910
(2S,4S,5S,6R)-6-methyloxane-2,4,5-triol
CID 6543736
1,4-dioxane-2,6-diol
CID 15582223
ethane;(2S,3R,4S,5S)-2,3,5-trimethyloxan-4-ol
CID 144983019
2-cyclopentyl-1,3-dioxolan-4-ol
CID 67076221

Frequently Asked Questions

What is the IUPAC name of (2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol?
The IUPAC name of (2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol (CID 124635550) is (2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol.
What is the SMILES notation for (2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol?
The canonical SMILES for (2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol is C[C@@H]1OC[C@@H](O)O[C@H]1C.
What is the InChIKey of (2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol?
The InChIKey is ISDVQPLEKUDGIV-ZLUOBGJFSA-N. The full InChI is InChI=1S/C6H12O3/c1-4-5(2)9-6(7)3-8-4/h4-7H,3H2,1-2H3/t4-,5-,6-/m0/s1.
What are the key properties of (2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol?
(2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol has a molecular weight of 132.16 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol is sourced from PubChem (CID 124635550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).