spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione

C11H12O5 — CID 13383449

IUPACspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione
SMILESO=C1CC2=C(CCC3(C2)OCCO3)C(=O)O1
InChIInChI=1S/C11H12O5/c12-9-5-7-6-11(14-3-4-15-11)2-1-8(7)10(13)16-9/h1-6H2
InChIKeyCHBWJAPVMIRNKC-UHFFFAOYSA-N
MW224.21 g/mol
LogP0.68
Rot. Bonds

About spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione

spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione (PubChem CID 13383449) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione
PubChem CID13383449
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Namespiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione
SMILESO=C1CC2=C(CCC3(C2)OCCO3)C(=O)O1
InChIInChI=1S/C11H12O5/c12-9-5-7-6-11(14-3-4-15-11)2-1-8(7)10(13)16-9/h1-6H2
InChIKeyCHBWJAPVMIRNKC-UHFFFAOYSA-N
XLogP0.68
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 50.68
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

1,4-dioxaspiro[4.5]decan-8-one
CID 567415
3-(2,4-dioxooxetan-3-ylidene)oxolane-2,5-dione
CID 163923906
(8S,13S,14R)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
CID 6546062
ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one
CID 144669099
8-cyclobutylidene-1,4-dioxaspiro[4.5]decane
CID 118423720
(7E)-7-(dimethylaminomethylidene)-1,4-dioxaspiro[4.5]decan-8-one
CID 10846176
(8S,13R,14S)-13-ethenylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
CID 163619970
11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone
CID 141130807
2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran]
CID 134863746
2'-(2-chlorophenyl)spiro[1,3-dioxolane-2,5'-3,4,6,7-tetrahydroindole]
CID 163687032
1,4-dioxaspiro[4.5]decan-8-ylidenemethanol
CID 10695236
1,4-dioxa-10-azaspiro[4.6]undecan-8-one
CID 142430356

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione?
The IUPAC name of spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione (CID 13383449) is spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione.
What is the SMILES notation for spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione?
The canonical SMILES for spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione is O=C1CC2=C(CCC3(C2)OCCO3)C(=O)O1.
What is the InChIKey of spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione?
The InChIKey is CHBWJAPVMIRNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c12-9-5-7-6-11(14-3-4-15-11)2-1-8(7)10(13)16-9/h1-6H2.
What are the key properties of spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione?
spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione has a molecular weight of 224.21 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydroisochromene]-1',3'-dione is sourced from PubChem (CID 13383449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).