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

C6H12O3 — CID 13356634

IUPAC(2R,4R)-2-methoxy-4-methyl-1,3-dioxane
SMILESCO[C@@H]1OCC[C@@H](C)O1
InChIInChI=1S/C6H12O3/c1-5-3-4-8-6(7-2)9-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyPPNFCQJTRMEVLI-PHDIDXHHSA-N
MW132.16 g/mol
LogP0.74
Rot. Bonds1

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

(2R,4R)-2-methoxy-4-methyl-1,3-dioxane (PubChem CID 13356634) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2R,4R)-2-methoxy-4-methyl-1,3-dioxane.

Molecular Properties

Compound Name(2R,4R)-2-methoxy-4-methyl-1,3-dioxane
PubChem CID13356634
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(2R,4R)-2-methoxy-4-methyl-1,3-dioxane
SMILESCO[C@@H]1OCC[C@@H](C)O1
InChIInChI=1S/C6H12O3/c1-5-3-4-8-6(7-2)9-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyPPNFCQJTRMEVLI-PHDIDXHHSA-N
XLogP0.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,3,3-tetramethyl-2-[(4-methyl-1,3-dioxan-2-yl)oxy]isoindole
CID 11779056
(5R)-2-methoxy-5-methyloxolane
CID 70228275
2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane
CID 22764999
(2S)-2,5-dimethyloxolane
CID 118613003
4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane
CID 170368455
4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane
CID 170568146
(2R,3R)-2,3-dimethoxy-6-methyloxane
CID 143625377
2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane
CID 176760509
CID 59732107
CID 59732107
methanol;2-methoxy-6-methyloxane
CID 143625427
4,8,11,15,19,22,26,30,33-nonamethyl-2,6,13,17,24,28-hexa(propan-2-yloxy)-1,3,5,7,12,14,16,18,23,25,27,29-dodecaoxacyclotritriacontane
CID 59770611
ethane;(2R,3R,6R)-3-methoxy-6-methyloxan-2-ol
CID 144590904

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methoxy-4-methyl-1,3-dioxane?
The IUPAC name of (2R,4R)-2-methoxy-4-methyl-1,3-dioxane (CID 13356634) is (2R,4R)-2-methoxy-4-methyl-1,3-dioxane.
What is the SMILES notation for (2R,4R)-2-methoxy-4-methyl-1,3-dioxane?
The canonical SMILES for (2R,4R)-2-methoxy-4-methyl-1,3-dioxane is CO[C@@H]1OCC[C@@H](C)O1.
What is the InChIKey of (2R,4R)-2-methoxy-4-methyl-1,3-dioxane?
The InChIKey is PPNFCQJTRMEVLI-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12O3/c1-5-3-4-8-6(7-2)9-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (2R,4R)-2-methoxy-4-methyl-1,3-dioxane?
(2R,4R)-2-methoxy-4-methyl-1,3-dioxane has a molecular weight of 132.16 g/mol, XLogP of 0.74, 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-4-methyl-1,3-dioxane is sourced from PubChem (CID 13356634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).