4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane

C8H16O2S — CID 23340016

IUPAC4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane
SMILESCSC(C)C1OC(C)C(C)O1
InChIInChI=1S/C8H16O2S/c1-5-6(2)10-8(9-5)7(3)11-4/h5-8H,1-4H3
InChIKeyGYDKCNFACZTDDM-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.89
Rot. Bonds2

About 4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane

4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane (PubChem CID 23340016) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane
PubChem CID23340016
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane
SMILESCSC(C)C1OC(C)C(C)O1
InChIInChI=1S/C8H16O2S/c1-5-6(2)10-8(9-5)7(3)11-4/h5-8H,1-4H3
InChIKeyGYDKCNFACZTDDM-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane?
The IUPAC name of 4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane (CID 23340016) is 4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane is CSC(C)C1OC(C)C(C)O1.
What is the InChIKey of 4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane?
The InChIKey is GYDKCNFACZTDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-5-6(2)10-8(9-5)7(3)11-4/h5-8H,1-4H3.
What are the key properties of 4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane?
4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane has a molecular weight of 176.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane is sourced from PubChem (CID 23340016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).