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

C16H24O2 — CID 132539205

IUPAC(2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane
SMILESCCCC[C@]1(c2ccccc2)C[C@H](C)O[C@H](C)O1
InChIInChI=1S/C16H24O2/c1-4-5-11-16(15-9-7-6-8-10-15)12-13(2)17-14(3)18-16/h6-10,13-14H,4-5,11-12H2,1-3H3/t13-,14-,16+/m0/s1
InChIKeySKSNYRDRLTXOCD-OFQRWUPVSA-N
MW248.37 g/mol
LogP4.24
Rot. Bonds4

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

(2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane (PubChem CID 132539205) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane.

Molecular Properties

Compound Name(2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane
PubChem CID132539205
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane
SMILESCCCC[C@]1(c2ccccc2)C[C@H](C)O[C@H](C)O1
InChIInChI=1S/C16H24O2/c1-4-5-11-16(15-9-7-6-8-10-15)12-13(2)17-14(3)18-16/h6-10,13-14H,4-5,11-12H2,1-3H3/t13-,14-,16+/m0/s1
InChIKeySKSNYRDRLTXOCD-OFQRWUPVSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 101248337
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(2S,3S)-2-butyl-3-methyl-2-(1-phenylethenyl)oxirane
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(1-butylcyclobutyl)benzene
CID 57200184
(2S,4S)-2-butyl-2-methyl-4-(2-phenylethyl)oxetan-3-one
CID 134965849
3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 67978638
5-octyl-2,3,3-triphenyl-1,2-oxazolidine
CID 15851551
4-hydroxy-2-pentyl-2-phenyl-3H-pyran-6-one
CID 54687158
trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
CID 101173351
(3aS,6aR)-5-octyl-2,2-diphenyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 10785977
2-heptyl-2-phenyl-3H-chromen-4-one
CID 174261212

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane?
The IUPAC name of (2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane (CID 132539205) is (2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane.
What is the SMILES notation for (2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane?
The canonical SMILES for (2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane is CCCC[C@]1(c2ccccc2)C[C@H](C)O[C@H](C)O1.
What is the InChIKey of (2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane?
The InChIKey is SKSNYRDRLTXOCD-OFQRWUPVSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-5-11-16(15-9-7-6-8-10-15)12-13(2)17-14(3)18-16/h6-10,13-14H,4-5,11-12H2,1-3H3/t13-,14-,16+/m0/s1.
What are the key properties of (2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane?
(2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane has a molecular weight of 248.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-4-butyl-2,6-dimethyl-4-phenyl-1,3-dioxane is sourced from PubChem (CID 132539205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).