buta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium

C12H25UY- — CID 158196798

IUPACbuta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium
SMILESCC.CC(C)(C)C.[CH3-].[H]/[C-]=C/C=[C-]/[H].[U+2].[Y]
InChIInChI=1S/C5H12.C4H4.C2H6.CH3.U.Y/c1-5(2,3)4;1-3-4-2;1-2;;;/h1-4H3;1-4H;1-2H3;1H3;;/q;-2;;-1;+2;
InChIKeyPIWXHGLUOIKRMZ-UHFFFAOYSA-N
MW496.27 g/mol
LogP4.49
Rot. Bonds1

About buta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium

buta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium (PubChem CID 158196798) has the molecular formula C12H25UY- and a molecular weight of 496.27 g/mol. Its IUPAC name is buta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium.

Molecular Properties

Compound Namebuta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium
PubChem CID158196798
Molecular FormulaC12H25UY-
Molecular Weight496.27 g/mol
Exact Mass496.15
IUPAC Namebuta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium
SMILESCC.CC(C)(C)C.[CH3-].[H]/[C-]=C/C=[C-]/[H].[U+2].[Y]
InChIInChI=1S/C5H12.C4H4.C2H6.CH3.U.Y/c1-5(2,3)4;1-3-4-2;1-2;;;/h1-4H3;1-4H;1-2H3;1H3;;/q;-2;;-1;+2;
InChIKeyPIWXHGLUOIKRMZ-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.27
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium?
The IUPAC name of buta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium (CID 158196798) is buta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium.
What is the SMILES notation for buta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium?
The canonical SMILES for buta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium is CC.CC(C)(C)C.[CH3-].[H]/[C-]=C/C=[C-]/[H].[U+2].[Y].
What is the InChIKey of buta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium?
The InChIKey is PIWXHGLUOIKRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H4.C2H6.CH3.U.Y/c1-5(2,3)4;1-3-4-2;1-2;;;/h1-4H3;1-4H;1-2H3;1H3;;/q;-2;;-1;+2;.
What are the key properties of buta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium?
buta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium has a molecular weight of 496.27 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium is sourced from PubChem (CID 158196798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).