2-phenyl-1,3-dioxane-4,6-dione;silane

C10H12O4Si — CID 157111906

IUPAC2-phenyl-1,3-dioxane-4,6-dione;silane
SMILESO=C1CC(=O)OC(c2ccccc2)O1.[SiH4]
InChIInChI=1S/C10H8O4.H4Si/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7;/h1-5,10H,6H2;1H4
InChIKeyAGYKPQAHGIRJRK-UHFFFAOYSA-N
MW224.29 g/mol
LogP-0.28
Rot. Bonds1

About 2-phenyl-1,3-dioxane-4,6-dione;silane

2-phenyl-1,3-dioxane-4,6-dione;silane (PubChem CID 157111906) has the molecular formula C10H12O4Si and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-phenyl-1,3-dioxane-4,6-dione;silane.

Molecular Properties

Compound Name2-phenyl-1,3-dioxane-4,6-dione;silane
PubChem CID157111906
Molecular FormulaC10H12O4Si
Molecular Weight224.29 g/mol
Exact Mass224.05
IUPAC Name2-phenyl-1,3-dioxane-4,6-dione;silane
SMILESO=C1CC(=O)OC(c2ccccc2)O1.[SiH4]
InChIInChI=1S/C10H8O4.H4Si/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7;/h1-5,10H,6H2;1H4
InChIKeyAGYKPQAHGIRJRK-UHFFFAOYSA-N
XLogP-0.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylphenyl)-1,3-dioxane-4,6-dione
CID 57182416
2,5-diphenyl-1,3-dioxane-4,6-dione
CID 10683306
5-phenyloxolan-2-one
CID 13884
(2R,3R)-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
CID 22216391
(4S,5S)-4-amino-5-phenyloxolan-2-one
CID 10867626
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
2-(2-nitrophenyl)-1,3-dioxane-4,6-dione
CID 166773370
(4S,5R)-4-amino-5-phenyloxolan-2-one;hydrochloride
CID 67643297
(2R)-2,6-diphenyl-1,3-dioxin-4-one
CID 806114
2-phenyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 14654084

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-dioxane-4,6-dione;silane?
The IUPAC name of 2-phenyl-1,3-dioxane-4,6-dione;silane (CID 157111906) is 2-phenyl-1,3-dioxane-4,6-dione;silane.
What is the SMILES notation for 2-phenyl-1,3-dioxane-4,6-dione;silane?
The canonical SMILES for 2-phenyl-1,3-dioxane-4,6-dione;silane is O=C1CC(=O)OC(c2ccccc2)O1.[SiH4].
What is the InChIKey of 2-phenyl-1,3-dioxane-4,6-dione;silane?
The InChIKey is AGYKPQAHGIRJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4.H4Si/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7;/h1-5,10H,6H2;1H4.
What are the key properties of 2-phenyl-1,3-dioxane-4,6-dione;silane?
2-phenyl-1,3-dioxane-4,6-dione;silane has a molecular weight of 224.29 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-dioxane-4,6-dione;silane is sourced from PubChem (CID 157111906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).