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

C13H18O2 — CID 132539210

IUPAC(2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane
SMILESC[C@H]1O[C@@H](C)[C@@H](C)[C@@H](c2ccccc2)O1
InChIInChI=1S/C13H18O2/c1-9-10(2)14-11(3)15-13(9)12-7-5-4-6-8-12/h4-11,13H,1-3H3/t9-,10+,11+,13+/m1/s1
InChIKeyIYBKPQUETSHXEG-BLFANLJRSA-N
MW206.29 g/mol
LogP3.15
Rot. Bonds1

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

(2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane (PubChem CID 132539210) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane.

Molecular Properties

Compound Name(2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane
PubChem CID132539210
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name(2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane
SMILESC[C@H]1O[C@@H](C)[C@@H](C)[C@@H](c2ccccc2)O1
InChIInChI=1S/C13H18O2/c1-9-10(2)14-11(3)15-13(9)12-7-5-4-6-8-12/h4-11,13H,1-3H3/t9-,10+,11+,13+/m1/s1
InChIKeyIYBKPQUETSHXEG-BLFANLJRSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane with MolForge

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Related Compounds

(2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane
CID 13179340
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
2-[(2R,4R,5S,6S)-2,5,6-trimethyl-1,3-dioxan-4-yl]phenol
CID 98170311
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
5-(2,5,6-trimethyl-1,3-dioxan-4-yl)-1,3-benzodioxole
CID 13179341
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol
CID 88976580
(1S,2S,5R,6R)-2-methyl-5-phenyl-3,4,7-trioxabicyclo[4.1.0]heptane
CID 11127104
2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane
CID 118140942
trimethyl-[(2R,3R,4S,6S)-3-methyl-2,6-diphenyloxan-4-yl]azanium
CID 23254826
(2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane
CID 100996137

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane?
The IUPAC name of (2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane (CID 132539210) is (2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane.
What is the SMILES notation for (2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane?
The canonical SMILES for (2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane is C[C@H]1O[C@@H](C)[C@@H](C)[C@@H](c2ccccc2)O1.
What is the InChIKey of (2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane?
The InChIKey is IYBKPQUETSHXEG-BLFANLJRSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-10(2)14-11(3)15-13(9)12-7-5-4-6-8-12/h4-11,13H,1-3H3/t9-,10+,11+,13+/m1/s1.
What are the key properties of (2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane?
(2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane has a molecular weight of 206.29 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane is sourced from PubChem (CID 132539210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).