benzylbenzene;uranium;dihydrate

C13H15O2U- — CID 163704034

IUPACbenzylbenzene;uranium;dihydrate
SMILESO.O.[U].[c-]1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H11.2H2O.U/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h1,3-10H,11H2;2*1H2;/q-1;;;
InChIKeyWKPSVSUSVFNSFG-UHFFFAOYSA-N
MW441.29 g/mol
LogP1.43
Rot. Bonds2

About benzylbenzene;uranium;dihydrate

benzylbenzene;uranium;dihydrate (PubChem CID 163704034) has the molecular formula C13H15O2U- and a molecular weight of 441.29 g/mol. Its IUPAC name is benzylbenzene;uranium;dihydrate.

Molecular Properties

Compound Namebenzylbenzene;uranium;dihydrate
PubChem CID163704034
Molecular FormulaC13H15O2U-
Molecular Weight441.29 g/mol
Exact Mass441.16
IUPAC Namebenzylbenzene;uranium;dihydrate
SMILESO.O.[U].[c-]1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H11.2H2O.U/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h1,3-10H,11H2;2*1H2;/q-1;;;
InChIKeyWKPSVSUSVFNSFG-UHFFFAOYSA-N
XLogP1.43
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzylbenzene;uranium;dihydrate?
The IUPAC name of benzylbenzene;uranium;dihydrate (CID 163704034) is benzylbenzene;uranium;dihydrate.
What is the SMILES notation for benzylbenzene;uranium;dihydrate?
The canonical SMILES for benzylbenzene;uranium;dihydrate is O.O.[U].[c-]1ccc(Cc2ccccc2)cc1.
What is the InChIKey of benzylbenzene;uranium;dihydrate?
The InChIKey is WKPSVSUSVFNSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11.2H2O.U/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h1,3-10H,11H2;2*1H2;/q-1;;;.
What are the key properties of benzylbenzene;uranium;dihydrate?
benzylbenzene;uranium;dihydrate has a molecular weight of 441.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;uranium;dihydrate is sourced from PubChem (CID 163704034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).