carbonic acid;ethane-1,2-diol;oxolane-2,5-dione

C7H12O8 — CID 88692501

IUPACcarbonic acid;ethane-1,2-diol;oxolane-2,5-dione
SMILESO=C(O)O.O=C1CCC(=O)O1.OCCO
InChIInChI=1S/C4H4O3.C2H6O2.CH2O3/c5-3-1-2-4(6)7-3;3-1-2-4;2-1(3)4/h1-2H2;3-4H,1-2H2;(H2,2,3,4)
InChIKeyJTPPVCLGXFFHNE-UHFFFAOYSA-N
MW224.16 g/mol
LogP-0.96
Rot. Bonds1

About carbonic acid;ethane-1,2-diol;oxolane-2,5-dione

carbonic acid;ethane-1,2-diol;oxolane-2,5-dione (PubChem CID 88692501) has the molecular formula C7H12O8 and a molecular weight of 224.16 g/mol. Its IUPAC name is carbonic acid;ethane-1,2-diol;oxolane-2,5-dione.

Molecular Properties

Compound Namecarbonic acid;ethane-1,2-diol;oxolane-2,5-dione
PubChem CID88692501
Molecular FormulaC7H12O8
Molecular Weight224.16 g/mol
Exact Mass224.05
IUPAC Namecarbonic acid;ethane-1,2-diol;oxolane-2,5-dione
SMILESO=C(O)O.O=C1CCC(=O)O1.OCCO
InChIInChI=1S/C4H4O3.C2H6O2.CH2O3/c5-3-1-2-4(6)7-3;3-1-2-4;2-1(3)4/h1-2H2;3-4H,1-2H2;(H2,2,3,4)
InChIKeyJTPPVCLGXFFHNE-UHFFFAOYSA-N
XLogP-0.96
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carbamic acid;oxolane-2,5-dione
CID 174883568
but-2-enedioic acid;oxolane-2,5-dione
CID 160630986
oxolane-2,5-dione;zinc
CID 159620051
carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione
CID 174899999
ethene;oxolane-2,5-dione
CID 88750918
5-hydroxy-4,4-bis(hydroxymethyl)-2-methylidenepentanoic acid;oxolane-2,5-dione
CID 174690364
(2,6-13C2)oxane-2,6-dione
CID 45039353
adamantane;oxolane-2,5-dione
CID 18424860
methanol;oxane-2,6-dione
CID 175106856
carbonothioic O,S-acid;bis(ethane-1,2-diol)
CID 174753400
bis(2-methylprop-2-enoic acid);oxepane-2,7-dione
CID 87784863
oxacyclododecane-2,12-dione
CID 14785770

Frequently Asked Questions

What is the IUPAC name of carbonic acid;ethane-1,2-diol;oxolane-2,5-dione?
The IUPAC name of carbonic acid;ethane-1,2-diol;oxolane-2,5-dione (CID 88692501) is carbonic acid;ethane-1,2-diol;oxolane-2,5-dione.
What is the SMILES notation for carbonic acid;ethane-1,2-diol;oxolane-2,5-dione?
The canonical SMILES for carbonic acid;ethane-1,2-diol;oxolane-2,5-dione is O=C(O)O.O=C1CCC(=O)O1.OCCO.
What is the InChIKey of carbonic acid;ethane-1,2-diol;oxolane-2,5-dione?
The InChIKey is JTPPVCLGXFFHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O3.C2H6O2.CH2O3/c5-3-1-2-4(6)7-3;3-1-2-4;2-1(3)4/h1-2H2;3-4H,1-2H2;(H2,2,3,4).
What are the key properties of carbonic acid;ethane-1,2-diol;oxolane-2,5-dione?
carbonic acid;ethane-1,2-diol;oxolane-2,5-dione has a molecular weight of 224.16 g/mol, XLogP of -0.96, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;ethane-1,2-diol;oxolane-2,5-dione is sourced from PubChem (CID 88692501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).