(6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane

C17H26O4S — CID 174946551

IUPAC(6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane
SMILESCc1ccc(S(=O)(=O)C2C[C@@H](CC(C)C)OC(C)(C)O2)cc1
InChIInChI=1S/C17H26O4S/c1-12(2)10-14-11-16(21-17(4,5)20-14)22(18,19)15-8-6-13(3)7-9-15/h6-9,12,14,16H,10-11H2,1-5H3/t14-,16?/m1/s1
InChIKeySLCQUWVJXCRARZ-IURRXHLWSA-N
MW326.46 g/mol
LogP3.68
Rot. Bonds4

About (6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane

(6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane (PubChem CID 174946551) has the molecular formula C17H26O4S and a molecular weight of 326.46 g/mol. Its IUPAC name is (6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane.

Molecular Properties

Compound Name(6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane
PubChem CID174946551
Molecular FormulaC17H26O4S
Molecular Weight326.46 g/mol
Exact Mass326.16
IUPAC Name(6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane
SMILESCc1ccc(S(=O)(=O)C2C[C@@H](CC(C)C)OC(C)(C)O2)cc1
InChIInChI=1S/C17H26O4S/c1-12(2)10-14-11-16(21-17(4,5)20-14)22(18,19)15-8-6-13(3)7-9-15/h6-9,12,14,16H,10-11H2,1-5H3/t14-,16?/m1/s1
InChIKeySLCQUWVJXCRARZ-IURRXHLWSA-N
XLogP3.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane?
The IUPAC name of (6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane (CID 174946551) is (6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane.
What is the SMILES notation for (6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane?
The canonical SMILES for (6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane is Cc1ccc(S(=O)(=O)C2C[C@@H](CC(C)C)OC(C)(C)O2)cc1.
What is the InChIKey of (6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane?
The InChIKey is SLCQUWVJXCRARZ-IURRXHLWSA-N. The full InChI is InChI=1S/C17H26O4S/c1-12(2)10-14-11-16(21-17(4,5)20-14)22(18,19)15-8-6-13(3)7-9-15/h6-9,12,14,16H,10-11H2,1-5H3/t14-,16?/m1/s1.
What are the key properties of (6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane?
(6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane has a molecular weight of 326.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-6-(2-methylpropyl)-1,3-dioxane is sourced from PubChem (CID 174946551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).