magnesium;1-chlorobutane;hydride

C4H11ClMg — CID 172997910

IUPACmagnesium;1-chlorobutane;hydride
SMILESCCCCCl.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H9Cl.Mg.2H/c1-2-3-4-5;;;/h2-4H2,1H3;;;/q;+2;2*-1
InChIKeyJTQQVSYZFIZJCZ-UHFFFAOYSA-N
MW118.89 g/mol
LogP1.87
Rot. Bonds2

About magnesium;1-chlorobutane;hydride

magnesium;1-chlorobutane;hydride (PubChem CID 172997910) has the molecular formula C4H11ClMg and a molecular weight of 118.89 g/mol. Its IUPAC name is magnesium;1-chlorobutane;hydride.

Molecular Properties

Compound Namemagnesium;1-chlorobutane;hydride
PubChem CID172997910
Molecular FormulaC4H11ClMg
Molecular Weight118.89 g/mol
Exact Mass118.04
IUPAC Namemagnesium;1-chlorobutane;hydride
SMILESCCCCCl.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H9Cl.Mg.2H/c1-2-3-4-5;;;/h2-4H2,1H3;;;/q;+2;2*-1
InChIKeyJTQQVSYZFIZJCZ-UHFFFAOYSA-N
XLogP1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.89
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chlorobutane
CID 8005
lithium;alumane;1-chlorobutane;hydride
CID 173447563
CID 87133310
CID 87133310
1-chlorobutane;chloroform
CID 88838918
1-chloropentane;pentadecane
CID 174295582
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;ethane
CID 175284520
1-chloropentane;zirconium;octahydrate
CID 175544911
CID 87162953
CID 87162953

Frequently Asked Questions

What is the IUPAC name of magnesium;1-chlorobutane;hydride?
The IUPAC name of magnesium;1-chlorobutane;hydride (CID 172997910) is magnesium;1-chlorobutane;hydride.
What is the SMILES notation for magnesium;1-chlorobutane;hydride?
The canonical SMILES for magnesium;1-chlorobutane;hydride is CCCCCl.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;1-chlorobutane;hydride?
The InChIKey is JTQQVSYZFIZJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl.Mg.2H/c1-2-3-4-5;;;/h2-4H2,1H3;;;/q;+2;2*-1.
What are the key properties of magnesium;1-chlorobutane;hydride?
magnesium;1-chlorobutane;hydride has a molecular weight of 118.89 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chlorobutane;hydride is sourced from PubChem (CID 172997910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).