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

C7H14O3 — CID 134879109

IUPAC(2R,4R)-2-methoxy-2,4-dimethyl-1,3-dioxane
SMILESCO[C@]1(C)OCC[C@@H](C)O1
InChIInChI=1S/C7H14O3/c1-6-4-5-9-7(2,8-3)10-6/h6H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyRWDCEIQCEFQCFZ-RNFRBKRXSA-N
MW146.19 g/mol
LogP1.13
Rot. Bonds1

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

(2R,4R)-2-methoxy-2,4-dimethyl-1,3-dioxane (PubChem CID 134879109) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2R,4R)-2-methoxy-2,4-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name(2R,4R)-2-methoxy-2,4-dimethyl-1,3-dioxane
PubChem CID134879109
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(2R,4R)-2-methoxy-2,4-dimethyl-1,3-dioxane
SMILESCO[C@]1(C)OCC[C@@H](C)O1
InChIInChI=1S/C7H14O3/c1-6-4-5-9-7(2,8-3)10-6/h6H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyRWDCEIQCEFQCFZ-RNFRBKRXSA-N
XLogP1.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methoxy-2,4-dimethyl-1,3-dioxane?
The IUPAC name of (2R,4R)-2-methoxy-2,4-dimethyl-1,3-dioxane (CID 134879109) is (2R,4R)-2-methoxy-2,4-dimethyl-1,3-dioxane.
What is the SMILES notation for (2R,4R)-2-methoxy-2,4-dimethyl-1,3-dioxane?
The canonical SMILES for (2R,4R)-2-methoxy-2,4-dimethyl-1,3-dioxane is CO[C@]1(C)OCC[C@@H](C)O1.
What is the InChIKey of (2R,4R)-2-methoxy-2,4-dimethyl-1,3-dioxane?
The InChIKey is RWDCEIQCEFQCFZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14O3/c1-6-4-5-9-7(2,8-3)10-6/h6H,4-5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (2R,4R)-2-methoxy-2,4-dimethyl-1,3-dioxane?
(2R,4R)-2-methoxy-2,4-dimethyl-1,3-dioxane has a molecular weight of 146.19 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methoxy-2,4-dimethyl-1,3-dioxane is sourced from PubChem (CID 134879109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).