4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane

C10H20O2S — CID 23398533

IUPAC4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane
SMILESCCSC(C)C1OC(C)OCC1C
InChIInChI=1S/C10H20O2S/c1-5-13-8(3)10-7(2)6-11-9(4)12-10/h7-10H,5-6H2,1-4H3
InChIKeyNMMHYRUGLZZOMC-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.53
Rot. Bonds3

About 4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane

4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane (PubChem CID 23398533) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane
PubChem CID23398533
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane
SMILESCCSC(C)C1OC(C)OCC1C
InChIInChI=1S/C10H20O2S/c1-5-13-8(3)10-7(2)6-11-9(4)12-10/h7-10H,5-6H2,1-4H3
InChIKeyNMMHYRUGLZZOMC-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane?
The IUPAC name of 4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane (CID 23398533) is 4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane?
The canonical SMILES for 4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane is CCSC(C)C1OC(C)OCC1C.
What is the InChIKey of 4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane?
The InChIKey is NMMHYRUGLZZOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-5-13-8(3)10-7(2)6-11-9(4)12-10/h7-10H,5-6H2,1-4H3.
What are the key properties of 4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane?
4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane has a molecular weight of 204.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 23398533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).