2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione

C15H14O4 — CID 46850321

IUPAC2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione
SMILESC=C1c2ccccc2CC12C(=O)OC(C)(C)OC2=O
InChIInChI=1S/C15H14O4/c1-9-11-7-5-4-6-10(11)8-15(9)12(16)18-14(2,3)19-13(15)17/h4-7H,1,8H2,2-3H3
InChIKeyGMCMXCVAPXZVKP-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.08
Rot. Bonds

About 2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione

2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione (PubChem CID 46850321) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione
PubChem CID46850321
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione
SMILESC=C1c2ccccc2CC12C(=O)OC(C)(C)OC2=O
InChIInChI=1S/C15H14O4/c1-9-11-7-5-4-6-10(11)8-15(9)12(16)18-14(2,3)19-13(15)17/h4-7H,1,8H2,2-3H3
InChIKeyGMCMXCVAPXZVKP-UHFFFAOYSA-N
XLogP2.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dihydroindene-2,2-dicarboxylic acid
CID 251957
Methyl 2-oxo-1-indanecarboxylate
CID 10888732
2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione
CID 84848
Ethyl 2-oxo-1-indanecarboxylate
CID 568965
5-Benzyl-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11075340
5,7-Dioxaspiro[2.5]octane-4,8-dione, 6,6-dimethyl-1-phenyl-
CID 11184166
Diethyl 2-(9H-fluoren-9-yl)malonate
CID 256087
5-[2-(2-Fluorophenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 25212921
dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate
CID 166447991
6'-Fluoro-6'-methylspiro[1,3-dihydroindene-2,3'-oxane]-2'-one
CID 177851429
(1R,2S)-1,6,6-trimethyl-2-phenyl-5,7-dioxaspiro[2.5]octane-4,8-dione
CID 21577646
Dimethyl 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-dihydroindene-2,2-dicarboxylate
CID 101722083

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione?
The IUPAC name of 2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione (CID 46850321) is 2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione?
The canonical SMILES for 2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione is C=C1c2ccccc2CC12C(=O)OC(C)(C)OC2=O.
What is the InChIKey of 2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione?
The InChIKey is GMCMXCVAPXZVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-9-11-7-5-4-6-10(11)8-15(9)12(16)18-14(2,3)19-13(15)17/h4-7H,1,8H2,2-3H3.
What are the key properties of 2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione?
2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione has a molecular weight of 258.27 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3'-methylidenespiro[1,3-dioxane-5,2'-1H-indene]-4,6-dione is sourced from PubChem (CID 46850321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).