2,2,4,7-tetramethylindene-1,3-dione

C13H14O2 — CID 139764535

IUPAC2,2,4,7-tetramethylindene-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)C(C)(C)C2=O
InChIInChI=1S/C13H14O2/c1-7-5-6-8(2)10-9(7)11(14)13(3,4)12(10)15/h5-6H,1-4H3
InChIKeyDPYKLNQJDMUBJP-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.71
Rot. Bonds

About 2,2,4,7-tetramethylindene-1,3-dione

2,2,4,7-tetramethylindene-1,3-dione (PubChem CID 139764535) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2,2,4,7-tetramethylindene-1,3-dione.

Molecular Properties

Compound Name2,2,4,7-tetramethylindene-1,3-dione
PubChem CID139764535
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2,2,4,7-tetramethylindene-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)C(C)(C)C2=O
InChIInChI=1S/C13H14O2/c1-7-5-6-8(2)10-9(7)11(14)13(3,4)12(10)15/h5-6H,1-4H3
InChIKeyDPYKLNQJDMUBJP-UHFFFAOYSA-N
XLogP2.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,7-tetramethylindene-1,3-dione?
The IUPAC name of 2,2,4,7-tetramethylindene-1,3-dione (CID 139764535) is 2,2,4,7-tetramethylindene-1,3-dione.
What is the SMILES notation for 2,2,4,7-tetramethylindene-1,3-dione?
The canonical SMILES for 2,2,4,7-tetramethylindene-1,3-dione is Cc1ccc(C)c2c1C(=O)C(C)(C)C2=O.
What is the InChIKey of 2,2,4,7-tetramethylindene-1,3-dione?
The InChIKey is DPYKLNQJDMUBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-7-5-6-8(2)10-9(7)11(14)13(3,4)12(10)15/h5-6H,1-4H3.
What are the key properties of 2,2,4,7-tetramethylindene-1,3-dione?
2,2,4,7-tetramethylindene-1,3-dione has a molecular weight of 202.25 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,7-tetramethylindene-1,3-dione is sourced from PubChem (CID 139764535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).