spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione

C12H10O4 — CID 141158526

IUPACspiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione
SMILESO=C1OC2(CCC2)OC(=O)c2ccc1cc2
InChIInChI=1S/C12H10O4/c13-10-8-2-3-9(5-4-8)11(14)16-12(15-10)6-1-7-12/h2-5H,1,6-7H2
InChIKeyFUKCBCRRUIYHDL-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.89
Rot. Bonds

About spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione

spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione (PubChem CID 141158526) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione.

Molecular Properties

Compound Namespiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione
PubChem CID141158526
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Namespiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione
SMILESO=C1OC2(CCC2)OC(=O)c2ccc1cc2
InChIInChI=1S/C12H10O4/c13-10-8-2-3-9(5-4-8)11(14)16-12(15-10)6-1-7-12/h2-5H,1,6-7H2
InChIKeyFUKCBCRRUIYHDL-UHFFFAOYSA-N
XLogP1.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione with MolForge

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Related Compounds

spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one
CID 155387781
2-methyl-3-phenyl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 139662377
spiro[1,3-benzodioxine-2,1'-cyclooctane]-4-one
CID 172559881
3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione
CID 139694670
3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 21058291
6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 159322778
3-[3-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)-2-phenylpropylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 90978245
cyclohexane;3,6-dioxabicyclo[6.2.2]dodeca-1(10),8,11-triene-2,7-dione
CID 66700297
6-bromospiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one
CID 172559859
7-(3-naphthalen-1-ylprop-2-enylidene)-5,9-dioxaspiro[3.5]nonane-6,8-dione
CID 155101125
3,12-dioxatetracyclo[12.2.2.04,7.04,11]octadeca-1(17),14(18),15-triene-2,13-dione
CID 140604529
5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one
CID 171601557

Frequently Asked Questions

What is the IUPAC name of spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione?
The IUPAC name of spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione (CID 141158526) is spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione.
What is the SMILES notation for spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione?
The canonical SMILES for spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione is O=C1OC2(CCC2)OC(=O)c2ccc1cc2.
What is the InChIKey of spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione?
The InChIKey is FUKCBCRRUIYHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c13-10-8-2-3-9(5-4-8)11(14)16-12(15-10)6-1-7-12/h2-5H,1,6-7H2.
What are the key properties of spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione?
spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione has a molecular weight of 218.21 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione is sourced from PubChem (CID 141158526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).