beryllium;sodium;propane

C6H14BeNa+ — CID 134905882

IUPACberyllium;sodium;propane
SMILES[Be+2].[CH2-]CC.[CH2-]CC.[Na+]
InChIInChI=1S/2C3H7.Be.Na/c2*1-3-2;;/h2*1,3H2,2H3;;/q2*-1;+2;+1
InChIKeyXVNOHQGLRMMWJJ-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.92
Rot. Bonds

About beryllium;sodium;propane

beryllium;sodium;propane (PubChem CID 134905882) has the molecular formula C6H14BeNa+ and a molecular weight of 118.18 g/mol. Its IUPAC name is beryllium;sodium;propane.

Molecular Properties

Compound Nameberyllium;sodium;propane
PubChem CID134905882
Molecular FormulaC6H14BeNa+
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Nameberyllium;sodium;propane
SMILES[Be+2].[CH2-]CC.[CH2-]CC.[Na+]
InChIInChI=1S/2C3H7.Be.Na/c2*1-3-2;;/h2*1,3H2,2H3;;/q2*-1;+2;+1
InChIKeyXVNOHQGLRMMWJJ-UHFFFAOYSA-N
XLogP-0.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.92
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;sodium;propane?
The IUPAC name of beryllium;sodium;propane (CID 134905882) is beryllium;sodium;propane.
What is the SMILES notation for beryllium;sodium;propane?
The canonical SMILES for beryllium;sodium;propane is [Be+2].[CH2-]CC.[CH2-]CC.[Na+].
What is the InChIKey of beryllium;sodium;propane?
The InChIKey is XVNOHQGLRMMWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7.Be.Na/c2*1-3-2;;/h2*1,3H2,2H3;;/q2*-1;+2;+1.
What are the key properties of beryllium;sodium;propane?
beryllium;sodium;propane has a molecular weight of 118.18 g/mol, XLogP of -0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;sodium;propane is sourced from PubChem (CID 134905882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).