(2,2-dioxooxathiolan-4-yl) ethyl carbonate

C6H10O6S — CID 90002594

IUPAC(2,2-dioxooxathiolan-4-yl) ethyl carbonate
SMILESCCOC(=O)OC1COS(=O)(=O)C1
InChIInChI=1S/C6H10O6S/c1-2-10-6(7)12-5-3-11-13(8,9)4-5/h5H,2-4H2,1H3
InChIKeyNVHGFXUDQHGLRS-UHFFFAOYSA-N
MW210.21 g/mol
LogP-0.11
Rot. Bonds2

About (2,2-dioxooxathiolan-4-yl) ethyl carbonate

(2,2-dioxooxathiolan-4-yl) ethyl carbonate (PubChem CID 90002594) has the molecular formula C6H10O6S and a molecular weight of 210.21 g/mol. Its IUPAC name is (2,2-dioxooxathiolan-4-yl) ethyl carbonate.

Molecular Properties

Compound Name(2,2-dioxooxathiolan-4-yl) ethyl carbonate
PubChem CID90002594
Molecular FormulaC6H10O6S
Molecular Weight210.21 g/mol
Exact Mass210.02
IUPAC Name(2,2-dioxooxathiolan-4-yl) ethyl carbonate
SMILESCCOC(=O)OC1COS(=O)(=O)C1
InChIInChI=1S/C6H10O6S/c1-2-10-6(7)12-5-3-11-13(8,9)4-5/h5H,2-4H2,1H3
InChIKeyNVHGFXUDQHGLRS-UHFFFAOYSA-N
XLogP-0.11
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-dioxooxathiolan-4-yl) ethyl carbonate?
The IUPAC name of (2,2-dioxooxathiolan-4-yl) ethyl carbonate (CID 90002594) is (2,2-dioxooxathiolan-4-yl) ethyl carbonate.
What is the SMILES notation for (2,2-dioxooxathiolan-4-yl) ethyl carbonate?
The canonical SMILES for (2,2-dioxooxathiolan-4-yl) ethyl carbonate is CCOC(=O)OC1COS(=O)(=O)C1.
What is the InChIKey of (2,2-dioxooxathiolan-4-yl) ethyl carbonate?
The InChIKey is NVHGFXUDQHGLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6S/c1-2-10-6(7)12-5-3-11-13(8,9)4-5/h5H,2-4H2,1H3.
What are the key properties of (2,2-dioxooxathiolan-4-yl) ethyl carbonate?
(2,2-dioxooxathiolan-4-yl) ethyl carbonate has a molecular weight of 210.21 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxooxathiolan-4-yl) ethyl carbonate is sourced from PubChem (CID 90002594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).