5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane

C9H18O2S — CID 23340029

IUPAC5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane
SMILESCSC(C)C1OCC(C)(C)CO1
InChIInChI=1S/C9H18O2S/c1-7(12-4)8-10-5-9(2,3)6-11-8/h7-8H,5-6H2,1-4H3
InChIKeyODAGCPVXSYQYHC-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.14
Rot. Bonds2

About 5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane

5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane (PubChem CID 23340029) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane.

Molecular Properties

Compound Name5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane
PubChem CID23340029
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane
SMILESCSC(C)C1OCC(C)(C)CO1
InChIInChI=1S/C9H18O2S/c1-7(12-4)8-10-5-9(2,3)6-11-8/h7-8H,5-6H2,1-4H3
InChIKeyODAGCPVXSYQYHC-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane?
The IUPAC name of 5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane (CID 23340029) is 5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane.
What is the SMILES notation for 5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane?
The canonical SMILES for 5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane is CSC(C)C1OCC(C)(C)CO1.
What is the InChIKey of 5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane?
The InChIKey is ODAGCPVXSYQYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-7(12-4)8-10-5-9(2,3)6-11-8/h7-8H,5-6H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane?
5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane has a molecular weight of 190.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxane is sourced from PubChem (CID 23340029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).