2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione

C16H14O4 — CID 176626118

IUPAC2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione
SMILESCc1cccc2c1C(=O)C(C1CCC(=O)CC1=O)C2=O
InChIInChI=1S/C16H14O4/c1-8-3-2-4-11-13(8)16(20)14(15(11)19)10-6-5-9(17)7-12(10)18/h2-4,10,14H,5-7H2,1H3
InChIKeyUJSATWSNLQZLJO-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.93
Rot. Bonds1

About 2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione

2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione (PubChem CID 176626118) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione.

Molecular Properties

Compound Name2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione
PubChem CID176626118
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione
SMILESCc1cccc2c1C(=O)C(C1CCC(=O)CC1=O)C2=O
InChIInChI=1S/C16H14O4/c1-8-3-2-4-11-13(8)16(20)14(15(11)19)10-6-5-9(17)7-12(10)18/h2-4,10,14H,5-7H2,1H3
InChIKeyUJSATWSNLQZLJO-UHFFFAOYSA-N
XLogP1.93
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione
CID 166872046
4-(1-methylidene-3-oxoinden-2-yl)cyclohexane-1,3-dione
CID 167404719
4-(4-methyl-3-methylidene-1-oxoisoindol-2-yl)cyclohexane-1,3-dione
CID 159073499
4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)cyclohexane-1,3-dione
CID 163897709
3-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
CID 121222541
N-(2,4-dioxocyclohexyl)-2,6-dimethylbenzamide
CID 160538684
3-(2,4-dioxocyclohexyl)-5-methyl-1H-quinazoline-2,4-dione
CID 147237842
3-[(1-methyl-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-6-yl)methyl]piperidine-2,6-dione
CID 170008593
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
(4aR)-1,3,4,4a,4b,5,6,8-octahydrophenanthrene-2,7-dione
CID 175478748
2-(2,4-dioxocyclohexyl)-4-ethoxyisoindole-1,3-dione
CID 162711688
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione?
The IUPAC name of 2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione (CID 176626118) is 2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione.
What is the SMILES notation for 2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione?
The canonical SMILES for 2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione is Cc1cccc2c1C(=O)C(C1CCC(=O)CC1=O)C2=O.
What is the InChIKey of 2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione?
The InChIKey is UJSATWSNLQZLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-8-3-2-4-11-13(8)16(20)14(15(11)19)10-6-5-9(17)7-12(10)18/h2-4,10,14H,5-7H2,1H3.
What are the key properties of 2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione?
2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione has a molecular weight of 270.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione is sourced from PubChem (CID 176626118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).