furo[3,4-d][1,3]dioxole-4,6-dione

C5H2O5 — CID 122223194

IUPACfuro[3,4-d][1,3]dioxole-4,6-dione
SMILESO=C1OC(=O)C2=C1OCO2
InChIInChI=1S/C5H2O5/c6-4-2-3(5(7)10-4)9-1-8-2/h1H2
InChIKeyQJHAZLSDVCCBLV-UHFFFAOYSA-N
MW142.07 g/mol
LogP-0.71
Rot. Bonds

About furo[3,4-d][1,3]dioxole-4,6-dione

furo[3,4-d][1,3]dioxole-4,6-dione (PubChem CID 122223194) has the molecular formula C5H2O5 and a molecular weight of 142.07 g/mol. Its IUPAC name is furo[3,4-d][1,3]dioxole-4,6-dione.

Molecular Properties

Compound Namefuro[3,4-d][1,3]dioxole-4,6-dione
PubChem CID122223194
Molecular FormulaC5H2O5
Molecular Weight142.07 g/mol
Exact Mass141.99
IUPAC Namefuro[3,4-d][1,3]dioxole-4,6-dione
SMILESO=C1OC(=O)C2=C1OCO2
InChIInChI=1S/C5H2O5/c6-4-2-3(5(7)10-4)9-1-8-2/h1H2
InChIKeyQJHAZLSDVCCBLV-UHFFFAOYSA-N
XLogP-0.71
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.07
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 10964397
5,5,11,11-tetramethyl-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone
CID 175887369
1,3,7-trioxecane-4,6,8,10-tetrone
CID 58502714
3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione
CID 18413762
4,4,5,5,14,14,15,15,24,24,25,25,34,34,35,35-hexadecadeuterio-3,6,13,16,23,26,33,36-octaoxapentacyclo[36.2.2.28,11.218,21.228,31]octatetraconta-1(41),8,10,18,20,28(44),29,31(43),38(42),39,45,47-dodecaene-2,7,12,17,22,27,32,37-octone
CID 169440192
4,7-dimethyl-5,6-dihydro-1,3-benzodioxole
CID 143987366
6,8-dioxaspiro[3.5]nonane-5,9-dione
CID 152952236
5-propan-2-ylidene-1,3-dioxane-4,6-dione
CID 58663306
5-methyl-6-(1-methylcyclopropyl)-2-benzofuran-1,3-dione
CID 123164993
4,5-dimethyl-1,3-dioxole
CID 13058524
1,3-dioxacyclopentadecane-4,15-dione
CID 54430729
1,9-dihydroxy-4,6,12,14,18,20-hexaoxabicyclo[7.7.5]henicosane-3,7,11,15,17,21-hexone
CID 172689316

Frequently Asked Questions

What is the IUPAC name of furo[3,4-d][1,3]dioxole-4,6-dione?
The IUPAC name of furo[3,4-d][1,3]dioxole-4,6-dione (CID 122223194) is furo[3,4-d][1,3]dioxole-4,6-dione.
What is the SMILES notation for furo[3,4-d][1,3]dioxole-4,6-dione?
The canonical SMILES for furo[3,4-d][1,3]dioxole-4,6-dione is O=C1OC(=O)C2=C1OCO2.
What is the InChIKey of furo[3,4-d][1,3]dioxole-4,6-dione?
The InChIKey is QJHAZLSDVCCBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2O5/c6-4-2-3(5(7)10-4)9-1-8-2/h1H2.
What are the key properties of furo[3,4-d][1,3]dioxole-4,6-dione?
furo[3,4-d][1,3]dioxole-4,6-dione has a molecular weight of 142.07 g/mol, XLogP of -0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furo[3,4-d][1,3]dioxole-4,6-dione is sourced from PubChem (CID 122223194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).