zinc;butane;prop-1-ene

C7H14Zn — CID 86231824

IUPACzinc;butane;prop-1-ene
SMILESC=C[CH2-].[CH2-]CCC.[Zn+2]
InChIInChI=1S/C4H9.C3H5.Zn/c1-3-4-2;1-3-2;/h1,3-4H2,2H3;3H,1-2H2;/q2*-1;+2
InChIKeyZILHNZUDBYPSDD-UHFFFAOYSA-N
MW163.58 g/mol
LogP2.62
Rot. Bonds1

About zinc;butane;prop-1-ene

zinc;butane;prop-1-ene (PubChem CID 86231824) has the molecular formula C7H14Zn and a molecular weight of 163.58 g/mol. Its IUPAC name is zinc;butane;prop-1-ene.

Molecular Properties

Compound Namezinc;butane;prop-1-ene
PubChem CID86231824
Molecular FormulaC7H14Zn
Molecular Weight163.58 g/mol
Exact Mass162.04
IUPAC Namezinc;butane;prop-1-ene
SMILESC=C[CH2-].[CH2-]CCC.[Zn+2]
InChIInChI=1S/C4H9.C3H5.Zn/c1-3-4-2;1-3-2;/h1,3-4H2,2H3;3H,1-2H2;/q2*-1;+2
InChIKeyZILHNZUDBYPSDD-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.58
LogP ≤ 52.62
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;prop-1-ene?
The IUPAC name of zinc;butane;prop-1-ene (CID 86231824) is zinc;butane;prop-1-ene.
What is the SMILES notation for zinc;butane;prop-1-ene?
The canonical SMILES for zinc;butane;prop-1-ene is C=C[CH2-].[CH2-]CCC.[Zn+2].
What is the InChIKey of zinc;butane;prop-1-ene?
The InChIKey is ZILHNZUDBYPSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.C3H5.Zn/c1-3-4-2;1-3-2;/h1,3-4H2,2H3;3H,1-2H2;/q2*-1;+2.
What are the key properties of zinc;butane;prop-1-ene?
zinc;butane;prop-1-ene has a molecular weight of 163.58 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;butane;prop-1-ene is sourced from PubChem (CID 86231824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).