(4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane

C16H24O2 — CID 10083371

IUPAC(4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane
SMILESCC1(C)O[C@H](c2ccccc2)C[C@H](C(C)(C)C)O1
InChIInChI=1S/C16H24O2/c1-15(2,3)14-11-13(17-16(4,5)18-14)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3/t13-,14+/m0/s1
InChIKeyIUOVSLQAVCLTOD-UONOGXRCSA-N
MW248.37 g/mol
LogP4.32
Rot. Bonds1

About (4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane

(4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane (PubChem CID 10083371) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane
PubChem CID10083371
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane
SMILESCC1(C)O[C@H](c2ccccc2)C[C@H](C(C)(C)C)O1
InChIInChI=1S/C16H24O2/c1-15(2,3)14-11-13(17-16(4,5)18-14)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3/t13-,14+/m0/s1
InChIKeyIUOVSLQAVCLTOD-UONOGXRCSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
(4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide
CID 132595418
(4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane
CID 56651452
2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol
CID 11117220
(2R,3S,5R)-3-bromo-2-[(2-methylpropan-2-yl)oxy]-5-phenyloxolane
CID 23253726
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
4-tert-butyl-2-phenyl-1,3-dioxolane
CID 13289090
(4R,6S)-4-tert-butyl-6-[[(4S,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane
CID 57409305
(2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 23238357
ethane;2-phenyloxirane
CID 54171856
4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 18766936
(2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 23238356

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane?
The IUPAC name of (4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane (CID 10083371) is (4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane.
What is the SMILES notation for (4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane?
The canonical SMILES for (4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane is CC1(C)O[C@H](c2ccccc2)C[C@H](C(C)(C)C)O1.
What is the InChIKey of (4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane?
The InChIKey is IUOVSLQAVCLTOD-UONOGXRCSA-N. The full InChI is InChI=1S/C16H24O2/c1-15(2,3)14-11-13(17-16(4,5)18-14)12-9-7-6-8-10-12/h6-10,13-14H,11H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of (4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane?
(4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane has a molecular weight of 248.37 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane is sourced from PubChem (CID 10083371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).