4,5-diethyl-1,3,2-dioxathiolane 2-oxide

C6H12O3S — CID 21337491

IUPAC4,5-diethyl-1,3,2-dioxathiolane 2-oxide
SMILESCCC1OS(=O)OC1CC
InChIInChI=1S/C6H12O3S/c1-3-5-6(4-2)9-10(7)8-5/h5-6H,3-4H2,1-2H3
InChIKeyHUJVEEDJEXJFHU-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.17
Rot. Bonds2

About 4,5-diethyl-1,3,2-dioxathiolane 2-oxide

4,5-diethyl-1,3,2-dioxathiolane 2-oxide (PubChem CID 21337491) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 4,5-diethyl-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name4,5-diethyl-1,3,2-dioxathiolane 2-oxide
PubChem CID21337491
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name4,5-diethyl-1,3,2-dioxathiolane 2-oxide
SMILESCCC1OS(=O)OC1CC
InChIInChI=1S/C6H12O3S/c1-3-5-6(4-2)9-10(7)8-5/h5-6H,3-4H2,1-2H3
InChIKeyHUJVEEDJEXJFHU-UHFFFAOYSA-N
XLogP1.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of 4,5-diethyl-1,3,2-dioxathiolane 2-oxide (CID 21337491) is 4,5-diethyl-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for 4,5-diethyl-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for 4,5-diethyl-1,3,2-dioxathiolane 2-oxide is CCC1OS(=O)OC1CC.
What is the InChIKey of 4,5-diethyl-1,3,2-dioxathiolane 2-oxide?
The InChIKey is HUJVEEDJEXJFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-3-5-6(4-2)9-10(7)8-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,5-diethyl-1,3,2-dioxathiolane 2-oxide?
4,5-diethyl-1,3,2-dioxathiolane 2-oxide has a molecular weight of 164.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 21337491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).