ethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate

C16H28O2U — CID 160716833

IUPACethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate
SMILESC/C=C(/[C-]=O)c1[c-]cccc1.CC.CC.CC.O.[U+2]
InChIInChI=1S/C10H8O.3C2H6.H2O.U/c1-2-9(8-11)10-6-4-3-5-7-10;3*1-2;;/h2-6H,1H3;3*1-2H3;1H2;/q-2;;;;;+2/b9-2-;;;;;
InChIKeyPIAHYMOCJLXCLK-HFCFNBBXSA-N
MW490.43 g/mol
LogP4.25
Rot. Bonds2

About ethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate

ethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate (PubChem CID 160716833) has the molecular formula C16H28O2U and a molecular weight of 490.43 g/mol. Its IUPAC name is ethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate.

Molecular Properties

Compound Nameethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate
PubChem CID160716833
Molecular FormulaC16H28O2U
Molecular Weight490.43 g/mol
Exact Mass490.26
IUPAC Nameethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate
SMILESC/C=C(/[C-]=O)c1[c-]cccc1.CC.CC.CC.O.[U+2]
InChIInChI=1S/C10H8O.3C2H6.H2O.U/c1-2-9(8-11)10-6-4-3-5-7-10;3*1-2;;/h2-6H,1H3;3*1-2H3;1H2;/q-2;;;;;+2/b9-2-;;;;;
InChIKeyPIAHYMOCJLXCLK-HFCFNBBXSA-N
XLogP4.25
TPSA48.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate?
The IUPAC name of ethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate (CID 160716833) is ethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate.
What is the SMILES notation for ethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate?
The canonical SMILES for ethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate is C/C=C(/[C-]=O)c1[c-]cccc1.CC.CC.CC.O.[U+2].
What is the InChIKey of ethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate?
The InChIKey is PIAHYMOCJLXCLK-HFCFNBBXSA-N. The full InChI is InChI=1S/C10H8O.3C2H6.H2O.U/c1-2-9(8-11)10-6-4-3-5-7-10;3*1-2;;/h2-6H,1H3;3*1-2H3;1H2;/q-2;;;;;+2/b9-2-;;;;;.
What are the key properties of ethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate?
ethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate has a molecular weight of 490.43 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-2-phenylbut-2-en-1-one;uranium(2+);hydrate is sourced from PubChem (CID 160716833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).