zinc;butane;oxygen(2-)

C4H9OZn- — CID 158389994

IUPACzinc;butane;oxygen(2-)
SMILES[CH2-]CCC.[O-2].[Zn+2]
InChIInChI=1S/C4H9.O.Zn/c1-3-4-2;;/h1,3-4H2,2H3;;/q-1;-2;+2
InChIKeyJGAMUKCDEBTFGZ-UHFFFAOYSA-N
MW138.50 g/mol
LogP1.50
Rot. Bonds1

About zinc;butane;oxygen(2-)

zinc;butane;oxygen(2-) (PubChem CID 158389994) has the molecular formula C4H9OZn- and a molecular weight of 138.50 g/mol. Its IUPAC name is zinc;butane;oxygen(2-).

Molecular Properties

Compound Namezinc;butane;oxygen(2-)
PubChem CID158389994
Molecular FormulaC4H9OZn-
Molecular Weight138.50 g/mol
Exact Mass137.00
IUPAC Namezinc;butane;oxygen(2-)
SMILES[CH2-]CCC.[O-2].[Zn+2]
InChIInChI=1S/C4H9.O.Zn/c1-3-4-2;;/h1,3-4H2,2H3;;/q-1;-2;+2
InChIKeyJGAMUKCDEBTFGZ-UHFFFAOYSA-N
XLogP1.50
TPSA28.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.50
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;butane;oxygen(2-)?
The IUPAC name of zinc;butane;oxygen(2-) (CID 158389994) is zinc;butane;oxygen(2-).
What is the SMILES notation for zinc;butane;oxygen(2-)?
The canonical SMILES for zinc;butane;oxygen(2-) is [CH2-]CCC.[O-2].[Zn+2].
What is the InChIKey of zinc;butane;oxygen(2-)?
The InChIKey is JGAMUKCDEBTFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.O.Zn/c1-3-4-2;;/h1,3-4H2,2H3;;/q-1;-2;+2.
What are the key properties of zinc;butane;oxygen(2-)?
zinc;butane;oxygen(2-) has a molecular weight of 138.50 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;butane;oxygen(2-) is sourced from PubChem (CID 158389994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).