1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+)

C12H17BrU — CID 163616317

IUPAC1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+)
SMILESCC(C)(C)Cc1c[c-]ccc1Br.[CH3-].[U+2]
InChIInChI=1S/C11H14Br.CH3.U/c1-11(2,3)8-9-6-4-5-7-10(9)12;;/h5-7H,8H2,1-3H3;1H3;/q2*-1;+2
InChIKeyDXVYRHMGBWBVSW-UHFFFAOYSA-N
MW479.20 g/mol
LogP4.29
Rot. Bonds1

About 1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+)

1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+) (PubChem CID 163616317) has the molecular formula C12H17BrU and a molecular weight of 479.20 g/mol. Its IUPAC name is 1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+).

Molecular Properties

Compound Name1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+)
PubChem CID163616317
Molecular FormulaC12H17BrU
Molecular Weight479.20 g/mol
Exact Mass478.10
IUPAC Name1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+)
SMILESCC(C)(C)Cc1c[c-]ccc1Br.[CH3-].[U+2]
InChIInChI=1S/C11H14Br.CH3.U/c1-11(2,3)8-9-6-4-5-7-10(9)12;;/h5-7H,8H2,1-3H3;1H3;/q2*-1;+2
InChIKeyDXVYRHMGBWBVSW-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.20
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+)?
The IUPAC name of 1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+) (CID 163616317) is 1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+).
What is the SMILES notation for 1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+)?
The canonical SMILES for 1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+) is CC(C)(C)Cc1c[c-]ccc1Br.[CH3-].[U+2].
What is the InChIKey of 1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+)?
The InChIKey is DXVYRHMGBWBVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br.CH3.U/c1-11(2,3)8-9-6-4-5-7-10(9)12;;/h5-7H,8H2,1-3H3;1H3;/q2*-1;+2.
What are the key properties of 1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+)?
1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+) has a molecular weight of 479.20 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2,2-dimethylpropyl)benzene-4-ide;carbanide;uranium(2+) is sourced from PubChem (CID 163616317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).