(4R,6S)-4,6-dimethyl-1,3-dioxane

C6H12O2 — CID 13223538

IUPAC(4R,6S)-4,6-dimethyl-1,3-dioxane
SMILESC[C@@H]1C[C@H](C)OCO1
InChIInChI=1S/C6H12O2/c1-5-3-6(2)8-4-7-5/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyOCBJIXQOIASAQK-OLQVQODUSA-N
MW116.16 g/mol
LogP1.16
Rot. Bonds

About (4R,6S)-4,6-dimethyl-1,3-dioxane

(4R,6S)-4,6-dimethyl-1,3-dioxane (PubChem CID 13223538) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (4R,6S)-4,6-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,6S)-4,6-dimethyl-1,3-dioxane
PubChem CID13223538
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(4R,6S)-4,6-dimethyl-1,3-dioxane
SMILESC[C@@H]1C[C@H](C)OCO1
InChIInChI=1S/C6H12O2/c1-5-3-6(2)8-4-7-5/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyOCBJIXQOIASAQK-OLQVQODUSA-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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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4,6-dimethyl-1,3-dioxane?
The IUPAC name of (4R,6S)-4,6-dimethyl-1,3-dioxane (CID 13223538) is (4R,6S)-4,6-dimethyl-1,3-dioxane.
What is the SMILES notation for (4R,6S)-4,6-dimethyl-1,3-dioxane?
The canonical SMILES for (4R,6S)-4,6-dimethyl-1,3-dioxane is C[C@@H]1C[C@H](C)OCO1.
What is the InChIKey of (4R,6S)-4,6-dimethyl-1,3-dioxane?
The InChIKey is OCBJIXQOIASAQK-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-3-6(2)8-4-7-5/h5-6H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (4R,6S)-4,6-dimethyl-1,3-dioxane?
(4R,6S)-4,6-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 (4R,6S)-4,6-dimethyl-1,3-dioxane is sourced from PubChem (CID 13223538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).