beryllium;butane;bromide

C4H9BeBr — CID 88723296

IUPACberyllium;butane;bromide
SMILES[Be+2].[Br-].[CH2-]CCC
InChIInChI=1S/C4H9.Be.BrH/c1-3-4-2;;/h1,3-4H2,2H3;;1H/q-1;+2;/p-1
InChIKeyKWNJNYBVPYZOEE-UHFFFAOYSA-M
MW146.03 g/mol
LogP-1.76
Rot. Bonds1

About beryllium;butane;bromide

beryllium;butane;bromide (PubChem CID 88723296) has the molecular formula C4H9BeBr and a molecular weight of 146.03 g/mol. Its IUPAC name is beryllium;butane;bromide.

Molecular Properties

Compound Nameberyllium;butane;bromide
PubChem CID88723296
Molecular FormulaC4H9BeBr
Molecular Weight146.03 g/mol
Exact Mass145.00
IUPAC Nameberyllium;butane;bromide
SMILES[Be+2].[Br-].[CH2-]CCC
InChIInChI=1S/C4H9.Be.BrH/c1-3-4-2;;/h1,3-4H2,2H3;;1H/q-1;+2;/p-1
InChIKeyKWNJNYBVPYZOEE-UHFFFAOYSA-M
XLogP-1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.03
LogP ≤ 5-1.76
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 beryllium;butane;bromide?
The IUPAC name of beryllium;butane;bromide (CID 88723296) is beryllium;butane;bromide.
What is the SMILES notation for beryllium;butane;bromide?
The canonical SMILES for beryllium;butane;bromide is [Be+2].[Br-].[CH2-]CCC.
What is the InChIKey of beryllium;butane;bromide?
The InChIKey is KWNJNYBVPYZOEE-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9.Be.BrH/c1-3-4-2;;/h1,3-4H2,2H3;;1H/q-1;+2;/p-1.
What are the key properties of beryllium;butane;bromide?
beryllium;butane;bromide has a molecular weight of 146.03 g/mol, XLogP of -1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;butane;bromide is sourced from PubChem (CID 88723296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).