(2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane

C14H20O2 — CID 13179340

IUPAC(2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane
SMILESCc1ccc([C@@H]2O[C@H](C)O[C@H](C)[C@@H]2C)cc1
InChIInChI=1S/C14H20O2/c1-9-5-7-13(8-6-9)14-10(2)11(3)15-12(4)16-14/h5-8,10-12,14H,1-4H3/t10-,11+,12+,14+/m0/s1
InChIKeyGWOBQRHNQNWAPG-FMCLSXCISA-N
MW220.31 g/mol
LogP3.45
Rot. Bonds1

About (2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane

(2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane (PubChem CID 13179340) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane.

Molecular Properties

Compound Name(2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane
PubChem CID13179340
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane
SMILESCc1ccc([C@@H]2O[C@H](C)O[C@H](C)[C@@H]2C)cc1
InChIInChI=1S/C14H20O2/c1-9-5-7-13(8-6-9)14-10(2)11(3)15-12(4)16-14/h5-8,10-12,14H,1-4H3/t10-,11+,12+,14+/m0/s1
InChIKeyGWOBQRHNQNWAPG-FMCLSXCISA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane?
The IUPAC name of (2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane (CID 13179340) is (2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane.
What is the SMILES notation for (2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane?
The canonical SMILES for (2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane is Cc1ccc([C@@H]2O[C@H](C)O[C@H](C)[C@@H]2C)cc1.
What is the InChIKey of (2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane?
The InChIKey is GWOBQRHNQNWAPG-FMCLSXCISA-N. The full InChI is InChI=1S/C14H20O2/c1-9-5-7-13(8-6-9)14-10(2)11(3)15-12(4)16-14/h5-8,10-12,14H,1-4H3/t10-,11+,12+,14+/m0/s1.
What are the key properties of (2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane?
(2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane has a molecular weight of 220.31 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane is sourced from PubChem (CID 13179340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).