(2R,4S)-2,4-dimethyl-1,3-dioxane

C6H12O2 — CID 41097415

IUPAC(2R,4S)-2,4-dimethyl-1,3-dioxane
SMILESC[C@@H]1OCC[C@H](C)O1
InChIInChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyVREPYGYMOSZTKJ-NTSWFWBYSA-N
MW116.16 g/mol
LogP1.16
Rot. Bonds

About (2R,4S)-2,4-dimethyl-1,3-dioxane

(2R,4S)-2,4-dimethyl-1,3-dioxane (PubChem CID 41097415) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2R,4S)-2,4-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name(2R,4S)-2,4-dimethyl-1,3-dioxane
PubChem CID41097415
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2R,4S)-2,4-dimethyl-1,3-dioxane
SMILESC[C@@H]1OCC[C@H](C)O1
InChIInChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyVREPYGYMOSZTKJ-NTSWFWBYSA-N
XLogP1.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-1,3-dioxane
CID 14269
1,1,3-Triethoxybutane
CID 22163
1,3-Dioxane, 2,4-dimethyl-
CID 13009
2,2-Dimethyl-1,3-dioxane
CID 39902
2-Methyl-1,3-dioxane
CID 136444
2-Ethyl-1,3-dioxane
CID 4205687
2,2,4-Trimethyl-1,3-dioxane
CID 136525
2-Ethyl-2-methyl-1,3-dioxane
CID 11789239
2,6-Dimethyl-1,3-dioxane-4-ol
CID 107329
2-Ethyl-2,4-dimethyl-1,3-dioxane
CID 252936
1,3-Dioxane, 4-methyl-2-propyl-
CID 95403
4,6-Dimethyl-1,3-dioxane
CID 136893

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2,4-dimethyl-1,3-dioxane?
The IUPAC name of (2R,4S)-2,4-dimethyl-1,3-dioxane (CID 41097415) is (2R,4S)-2,4-dimethyl-1,3-dioxane.
What is the SMILES notation for (2R,4S)-2,4-dimethyl-1,3-dioxane?
The canonical SMILES for (2R,4S)-2,4-dimethyl-1,3-dioxane is C[C@@H]1OCC[C@H](C)O1.
What is the InChIKey of (2R,4S)-2,4-dimethyl-1,3-dioxane?
The InChIKey is VREPYGYMOSZTKJ-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of (2R,4S)-2,4-dimethyl-1,3-dioxane?
(2R,4S)-2,4-dimethyl-1,3-dioxane has a molecular weight of 116.16 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,4-dimethyl-1,3-dioxane is sourced from PubChem (CID 41097415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).