5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane

C10H20O2S — CID 146328322

IUPAC5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane
SMILESCSC1(C(C)C)OCC(C)(C)CO1
InChIInChI=1S/C10H20O2S/c1-8(2)10(13-5)11-6-9(3,4)7-12-10/h8H,6-7H2,1-5H3
InChIKeyOGQVTKREVYGUNA-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.73
Rot. Bonds2

About 5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane

5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane (PubChem CID 146328322) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane
PubChem CID146328322
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane
SMILESCSC1(C(C)C)OCC(C)(C)CO1
InChIInChI=1S/C10H20O2S/c1-8(2)10(13-5)11-6-9(3,4)7-12-10/h8H,6-7H2,1-5H3
InChIKeyOGQVTKREVYGUNA-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane?
The IUPAC name of 5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane (CID 146328322) is 5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane?
The canonical SMILES for 5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane is CSC1(C(C)C)OCC(C)(C)CO1.
What is the InChIKey of 5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane?
The InChIKey is OGQVTKREVYGUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-8(2)10(13-5)11-6-9(3,4)7-12-10/h8H,6-7H2,1-5H3.
What are the key properties of 5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane?
5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane has a molecular weight of 204.33 g/mol, XLogP of 2.73, 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-methylsulfanyl-2-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 146328322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).