4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide

C8H16O4S — CID 146263627

IUPAC4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESCCC1(C)OS(=O)(=O)OC1(C)CC
InChIInChI=1S/C8H16O4S/c1-5-7(3)8(4,6-2)12-13(9,10)11-7/h5-6H2,1-4H3
InChIKeyFYZIVUXNDMNVDF-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.62
Rot. Bonds2

About 4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide

4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 146263627) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is 4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID146263627
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESCCC1(C)OS(=O)(=O)OC1(C)CC
InChIInChI=1S/C8H16O4S/c1-5-7(3)8(4,6-2)12-13(9,10)11-7/h5-6H2,1-4H3
InChIKeyFYZIVUXNDMNVDF-UHFFFAOYSA-N
XLogP1.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of 4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide (CID 146263627) is 4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for 4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for 4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide is CCC1(C)OS(=O)(=O)OC1(C)CC.
What is the InChIKey of 4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is FYZIVUXNDMNVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4S/c1-5-7(3)8(4,6-2)12-13(9,10)11-7/h5-6H2,1-4H3.
What are the key properties of 4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide?
4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 208.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 146263627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).