carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione

C8H12O10 — CID 23196678

IUPACcarbonic acid;cyclobutane;1,3-dioxetane-2,4-dione
SMILESC1CCC1.O=C(O)O.O=C(O)O.O=C1OC(=O)O1
InChIInChI=1S/C4H8.C2O4.2CH2O3/c1-2-4-3-1;3-1-5-2(4)6-1;2*2-1(3)4/h1-4H2;;2*(H2,2,3,4)
InChIKeyWUOPQDYMAUNWJQ-UHFFFAOYSA-N
MW268.17 g/mol
LogP2.28
Rot. Bonds

About carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione

carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione (PubChem CID 23196678) has the molecular formula C8H12O10 and a molecular weight of 268.17 g/mol. Its IUPAC name is carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione.

Molecular Properties

Compound Namecarbonic acid;cyclobutane;1,3-dioxetane-2,4-dione
PubChem CID23196678
Molecular FormulaC8H12O10
Molecular Weight268.17 g/mol
Exact Mass268.04
IUPAC Namecarbonic acid;cyclobutane;1,3-dioxetane-2,4-dione
SMILESC1CCC1.O=C(O)O.O=C(O)O.O=C1OC(=O)O1
InChIInChI=1S/C4H8.C2O4.2CH2O3/c1-2-4-3-1;3-1-5-2(4)6-1;2*2-1(3)4/h1-4H2;;2*(H2,2,3,4)
InChIKeyWUOPQDYMAUNWJQ-UHFFFAOYSA-N
XLogP2.28
TPSA167.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione?
The IUPAC name of carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione (CID 23196678) is carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione.
What is the SMILES notation for carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione?
The canonical SMILES for carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione is C1CCC1.O=C(O)O.O=C(O)O.O=C1OC(=O)O1.
What is the InChIKey of carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione?
The InChIKey is WUOPQDYMAUNWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C2O4.2CH2O3/c1-2-4-3-1;3-1-5-2(4)6-1;2*2-1(3)4/h1-4H2;;2*(H2,2,3,4).
What are the key properties of carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione?
carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione has a molecular weight of 268.17 g/mol, XLogP of 2.28, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione is sourced from PubChem (CID 23196678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).