2,2-dimethylchromene-5,8-dione

C11H10O3 — CID 11194815

IUPAC2,2-dimethylchromene-5,8-dione
SMILESCC1(C)C=CC2=C(O1)C(=O)C=CC2=O
InChIInChI=1S/C11H10O3/c1-11(2)6-5-7-8(12)3-4-9(13)10(7)14-11/h3-6H,1-2H3
InChIKeyJSQKKBGEOFZYPG-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.31
Rot. Bonds

About 2,2-dimethylchromene-5,8-dione

2,2-dimethylchromene-5,8-dione (PubChem CID 11194815) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2,2-dimethylchromene-5,8-dione.

Molecular Properties

Compound Name2,2-dimethylchromene-5,8-dione
PubChem CID11194815
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2,2-dimethylchromene-5,8-dione
SMILESCC1(C)C=CC2=C(O1)C(=O)C=CC2=O
InChIInChI=1S/C11H10O3/c1-11(2)6-5-7-8(12)3-4-9(13)10(7)14-11/h3-6H,1-2H3
InChIKeyJSQKKBGEOFZYPG-UHFFFAOYSA-N
XLogP1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylchromene-5,8-dione?
The IUPAC name of 2,2-dimethylchromene-5,8-dione (CID 11194815) is 2,2-dimethylchromene-5,8-dione.
What is the SMILES notation for 2,2-dimethylchromene-5,8-dione?
The canonical SMILES for 2,2-dimethylchromene-5,8-dione is CC1(C)C=CC2=C(O1)C(=O)C=CC2=O.
What is the InChIKey of 2,2-dimethylchromene-5,8-dione?
The InChIKey is JSQKKBGEOFZYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-11(2)6-5-7-8(12)3-4-9(13)10(7)14-11/h3-6H,1-2H3.
What are the key properties of 2,2-dimethylchromene-5,8-dione?
2,2-dimethylchromene-5,8-dione has a molecular weight of 190.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylchromene-5,8-dione is sourced from PubChem (CID 11194815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).