2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+)

C13H19ClU — CID 58598694

IUPAC2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+)
SMILES[CH2-]Cc1ccc(Cl)cc1CCCC.[CH3-].[U+2]
InChIInChI=1S/C12H16Cl.CH3.U/c1-3-5-6-11-9-12(13)8-7-10(11)4-2;;/h7-9H,2-6H2,1H3;1H3;/q2*-1;+2
InChIKeyZKLYLYXQQNCXEJ-UHFFFAOYSA-N
MW448.78 g/mol
LogP4.51
Rot. Bonds4

About 2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+)

2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+) (PubChem CID 58598694) has the molecular formula C13H19ClU and a molecular weight of 448.78 g/mol. Its IUPAC name is 2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+).

Molecular Properties

Compound Name2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+)
PubChem CID58598694
Molecular FormulaC13H19ClU
Molecular Weight448.78 g/mol
Exact Mass448.17
IUPAC Name2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+)
SMILES[CH2-]Cc1ccc(Cl)cc1CCCC.[CH3-].[U+2]
InChIInChI=1S/C12H16Cl.CH3.U/c1-3-5-6-11-9-12(13)8-7-10(11)4-2;;/h7-9H,2-6H2,1H3;1H3;/q2*-1;+2
InChIKeyZKLYLYXQQNCXEJ-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.78
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-butyl-4-chloro-1-ethylbenzene;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

Related Compounds

N-[(2-butyl-4-chlorophenyl)methyl]propan-1-amine
CID 106659194
N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine
CID 106659183
1-butyl-2-ethyl-4-fluorobenzene;carbanide;uranium;uranium(2+)
CID 58598683
(4-chloro-2-propylphenyl)methanol
CID 165125586
2-butyl-4-chlorophenol;4-chloro-2-methylphenol
CID 69346609
4-chloro-1-ethyl-2-propylbenzene
CID 144500548
5-chloro-2-dodecylaniline
CID 139793979
5-chloro-2-dodecylphenol
CID 102279992
3-butyl-5-chloro-1-benzothiophene
CID 67585304
2,4-dibutyl-6-(4-chlorophenyl)-3-ethylphenol
CID 140982124
2,3,8,9-tetrabutyltetracene
CID 102053257
1,2,3,4-tetrabutylbenzene
CID 11220391

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+)?
The IUPAC name of 2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+) (CID 58598694) is 2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+).
What is the SMILES notation for 2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+)?
The canonical SMILES for 2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+) is [CH2-]Cc1ccc(Cl)cc1CCCC.[CH3-].[U+2].
What is the InChIKey of 2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+)?
The InChIKey is ZKLYLYXQQNCXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl.CH3.U/c1-3-5-6-11-9-12(13)8-7-10(11)4-2;;/h7-9H,2-6H2,1H3;1H3;/q2*-1;+2.
What are the key properties of 2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+)?
2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+) has a molecular weight of 448.78 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+) is sourced from PubChem (CID 58598694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).