7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione

C12H12O4 — CID 14588371

IUPAC7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione
SMILESCC1=C2CCCC2=CC(=O)C12OCC(=O)O2
InChIInChI=1S/C12H12O4/c1-7-9-4-2-3-8(9)5-10(13)12(7)15-6-11(14)16-12/h5H,2-4,6H2,1H3
InChIKeyCPJRSCSYABIJBQ-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.27
Rot. Bonds

About 7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione

7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione (PubChem CID 14588371) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione.

Molecular Properties

Compound Name7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione
PubChem CID14588371
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione
SMILESCC1=C2CCCC2=CC(=O)C12OCC(=O)O2
InChIInChI=1S/C12H12O4/c1-7-9-4-2-3-8(9)5-10(13)12(7)15-6-11(14)16-12/h5H,2-4,6H2,1H3
InChIKeyCPJRSCSYABIJBQ-UHFFFAOYSA-N
XLogP1.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione?
The IUPAC name of 7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione (CID 14588371) is 7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione.
What is the SMILES notation for 7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione?
The canonical SMILES for 7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione is CC1=C2CCCC2=CC(=O)C12OCC(=O)O2.
What is the InChIKey of 7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione?
The InChIKey is CPJRSCSYABIJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-7-9-4-2-3-8(9)5-10(13)12(7)15-6-11(14)16-12/h5H,2-4,6H2,1H3.
What are the key properties of 7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione?
7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione has a molecular weight of 220.22 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione is sourced from PubChem (CID 14588371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).