5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane

C8H16O3S — CID 89284073

IUPAC5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane
SMILESCOCC1(CSC)COCOC1
InChIInChI=1S/C8H16O3S/c1-9-3-8(6-12-2)4-10-7-11-5-8/h3-7H2,1-2H3
InChIKeySBZSVFVRLDDZHI-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.99
Rot. Bonds4

About 5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane

5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane (PubChem CID 89284073) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane.

Molecular Properties

Compound Name5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane
PubChem CID89284073
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane
SMILESCOCC1(CSC)COCOC1
InChIInChI=1S/C8H16O3S/c1-9-3-8(6-12-2)4-10-7-11-5-8/h3-7H2,1-2H3
InChIKeySBZSVFVRLDDZHI-UHFFFAOYSA-N
XLogP0.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane?
The IUPAC name of 5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane (CID 89284073) is 5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane.
What is the SMILES notation for 5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane?
The canonical SMILES for 5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane is COCC1(CSC)COCOC1.
What is the InChIKey of 5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane?
The InChIKey is SBZSVFVRLDDZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-9-3-8(6-12-2)4-10-7-11-5-8/h3-7H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane?
5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane has a molecular weight of 192.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-5-(methylsulfanylmethyl)-1,3-dioxane is sourced from PubChem (CID 89284073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).