(2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate

C4H4O6 — CID 67999025

IUPAC(2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate
SMILESO=C(O)OC1COC(=O)O1
InChIInChI=1S/C4H4O6/c5-3(6)9-2-1-8-4(7)10-2/h2H,1H2,(H,5,6)
InChIKeyMFQIIFVRCANKPD-UHFFFAOYSA-N
MW148.07 g/mol
LogP0.17
Rot. Bonds1

About (2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate

(2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate (PubChem CID 67999025) has the molecular formula C4H4O6 and a molecular weight of 148.07 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate
PubChem CID67999025
Molecular FormulaC4H4O6
Molecular Weight148.07 g/mol
Exact Mass148.00
IUPAC Name(2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate
SMILESO=C(O)OC1COC(=O)O1
InChIInChI=1S/C4H4O6/c5-3(6)9-2-1-8-4(7)10-2/h2H,1H2,(H,5,6)
InChIKeyMFQIIFVRCANKPD-UHFFFAOYSA-N
XLogP0.17
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.07
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate (CID 67999025) is (2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate is O=C(O)OC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate?
The InChIKey is MFQIIFVRCANKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O6/c5-3(6)9-2-1-8-4(7)10-2/h2H,1H2,(H,5,6).
What are the key properties of (2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate?
(2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate has a molecular weight of 148.07 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate is sourced from PubChem (CID 67999025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).