(6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane

C15H22O2S — CID 134890527

IUPAC(6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane
SMILESCC(C)[C@H]1CC(Sc2ccccc2)OC(C)(C)O1
InChIInChI=1S/C15H22O2S/c1-11(2)13-10-14(17-15(3,4)16-13)18-12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3/t13-,14?/m1/s1
InChIKeyCLURWLNGIBYOAJ-KWCCSABGSA-N
MW266.41 g/mol
LogP4.30
Rot. Bonds3

About (6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane

(6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane (PubChem CID 134890527) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is (6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name(6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane
PubChem CID134890527
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name(6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane
SMILESCC(C)[C@H]1CC(Sc2ccccc2)OC(C)(C)O1
InChIInChI=1S/C15H22O2S/c1-11(2)13-10-14(17-15(3,4)16-13)18-12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3/t13-,14?/m1/s1
InChIKeyCLURWLNGIBYOAJ-KWCCSABGSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
4-Methyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361775
6-Methyl-6-(phenylsulfanylmethyl)-3,3-dipropyl-1,2,4-trioxane
CID 71597173
2-[(Phenylsulfanyl)methyl]oxane
CID 13757446
(2R,3S)-6-(benzenesulfonyl)-2,3-dimethyloxane
CID 14446823
7-Methyl-7-(phenylsulfanylmethyl)-5,6,9-trioxaspiro[3.5]nonane
CID 11323093
2-Fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane
CID 18729283
(1-Ethoxy-1-fluoro-3-methoxypentan-2-yl)sulfanylbenzene
CID 71228386
(2S,4S,6S)-2-tert-butyl-4-hexyl-6-phenylsulfanyl-1,3-dioxane
CID 10042669
[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene
CID 10425254
(2S,4S,6R)-4-hexyl-6-phenylsulfanyl-2-propan-2-yl-1,3-dioxane
CID 10471396
(4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane
CID 10567116

Frequently Asked Questions

What is the IUPAC name of (6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane?
The IUPAC name of (6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane (CID 134890527) is (6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane.
What is the SMILES notation for (6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane?
The canonical SMILES for (6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane is CC(C)[C@H]1CC(Sc2ccccc2)OC(C)(C)O1.
What is the InChIKey of (6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane?
The InChIKey is CLURWLNGIBYOAJ-KWCCSABGSA-N. The full InChI is InChI=1S/C15H22O2S/c1-11(2)13-10-14(17-15(3,4)16-13)18-12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3/t13-,14?/m1/s1.
What are the key properties of (6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane?
(6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane has a molecular weight of 266.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,2-dimethyl-4-phenylsulfanyl-6-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 134890527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).