4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide

C5H10O5S — CID 153262727

IUPAC4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide
SMILESCCOCC1COS(=O)(=O)O1
InChIInChI=1S/C5H10O5S/c1-2-8-3-5-4-9-11(6,7)10-5/h5H,2-4H2,1H3
InChIKeyWVOJCKSMTFBPHR-UHFFFAOYSA-N
MW182.20 g/mol
LogP-0.32
Rot. Bonds3

About 4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide

4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 153262727) has the molecular formula C5H10O5S and a molecular weight of 182.20 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID153262727
Molecular FormulaC5H10O5S
Molecular Weight182.20 g/mol
Exact Mass182.02
IUPAC Name4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide
SMILESCCOCC1COS(=O)(=O)O1
InChIInChI=1S/C5H10O5S/c1-2-8-3-5-4-9-11(6,7)10-5/h5H,2-4H2,1H3
InChIKeyWVOJCKSMTFBPHR-UHFFFAOYSA-N
XLogP-0.32
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of 4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide (CID 153262727) is 4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for 4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for 4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide is CCOCC1COS(=O)(=O)O1.
What is the InChIKey of 4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is WVOJCKSMTFBPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5S/c1-2-8-3-5-4-9-11(6,7)10-5/h5H,2-4H2,1H3.
What are the key properties of 4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide?
4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 182.20 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 153262727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).