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

C10H20O2S — CID 23340024

IUPAC4,4,5,5-tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane
SMILESCSC(C)C1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H20O2S/c1-7(13-6)8-11-9(2,3)10(4,5)12-8/h7-8H,1-6H3
InChIKeySGOCDDMFPZQRST-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.67
Rot. Bonds2

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

4,4,5,5-tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane (PubChem CID 23340024) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane
PubChem CID23340024
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name4,4,5,5-tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane
SMILESCSC(C)C1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H20O2S/c1-7(13-6)8-11-9(2,3)10(4,5)12-8/h7-8H,1-6H3
InChIKeySGOCDDMFPZQRST-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane (CID 23340024) is 4,4,5,5-tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane is CSC(C)C1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane?
The InChIKey is SGOCDDMFPZQRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-7(13-6)8-11-9(2,3)10(4,5)12-8/h7-8H,1-6H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane?
4,4,5,5-tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane has a molecular weight of 204.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane is sourced from PubChem (CID 23340024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).