2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione

C11H12N2O4 — CID 139644245

IUPAC2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione
SMILESCC(C)(c1ccccc1)N1NOC(=O)C(=O)O1
InChIInChI=1S/C11H12N2O4/c1-11(2,8-6-4-3-5-7-8)13-12-16-9(14)10(15)17-13/h3-7,12H,1-2H3
InChIKeyMLRXLHMUHDOPCE-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.66
Rot. Bonds2

About 2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione

2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione (PubChem CID 139644245) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione.

Molecular Properties

Compound Name2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione
PubChem CID139644245
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione
SMILESCC(C)(c1ccccc1)N1NOC(=O)C(=O)O1
InChIInChI=1S/C11H12N2O4/c1-11(2,8-6-4-3-5-7-8)13-12-16-9(14)10(15)17-13/h3-7,12H,1-2H3
InChIKeyMLRXLHMUHDOPCE-UHFFFAOYSA-N
XLogP0.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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methyl-oxo-(2-phenylpropan-2-yl)phosphanium
CID 89036832
4-amino-1-(2-phenylpropan-2-yl)pyrrolidin-2-one
CID 168699128
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tert-butylbenzene;molecular nitrogen
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benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione?
The IUPAC name of 2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione (CID 139644245) is 2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione.
What is the SMILES notation for 2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione?
The canonical SMILES for 2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione is CC(C)(c1ccccc1)N1NOC(=O)C(=O)O1.
What is the InChIKey of 2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione?
The InChIKey is MLRXLHMUHDOPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-11(2,8-6-4-3-5-7-8)13-12-16-9(14)10(15)17-13/h3-7,12H,1-2H3.
What are the key properties of 2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione?
2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione has a molecular weight of 236.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione is sourced from PubChem (CID 139644245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).