magnesium;butane;carbanide

C9H21Mg- — CID 59738430

IUPACmagnesium;butane;carbanide
SMILES[CH2-]CCC.[CH2-]CCC.[CH3-].[Mg+2]
InChIInChI=1S/2C4H9.CH3.Mg/c2*1-3-4-2;;/h2*1,3-4H2,2H3;1H3;/q3*-1;+2
InChIKeyTWSGXXMXUKPCCM-UHFFFAOYSA-N
MW153.57 g/mol
LogP3.31
Rot. Bonds2

About magnesium;butane;carbanide

magnesium;butane;carbanide (PubChem CID 59738430) has the molecular formula C9H21Mg- and a molecular weight of 153.57 g/mol. Its IUPAC name is magnesium;butane;carbanide.

Molecular Properties

Compound Namemagnesium;butane;carbanide
PubChem CID59738430
Molecular FormulaC9H21Mg-
Molecular Weight153.57 g/mol
Exact Mass153.15
IUPAC Namemagnesium;butane;carbanide
SMILES[CH2-]CCC.[CH2-]CCC.[CH3-].[Mg+2]
InChIInChI=1S/2C4H9.CH3.Mg/c2*1-3-4-2;;/h2*1,3-4H2,2H3;1H3;/q3*-1;+2
InChIKeyTWSGXXMXUKPCCM-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.57
LogP ≤ 53.31
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 magnesium;butane;carbanide?
The IUPAC name of magnesium;butane;carbanide (CID 59738430) is magnesium;butane;carbanide.
What is the SMILES notation for magnesium;butane;carbanide?
The canonical SMILES for magnesium;butane;carbanide is [CH2-]CCC.[CH2-]CCC.[CH3-].[Mg+2].
What is the InChIKey of magnesium;butane;carbanide?
The InChIKey is TWSGXXMXUKPCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.CH3.Mg/c2*1-3-4-2;;/h2*1,3-4H2,2H3;1H3;/q3*-1;+2.
What are the key properties of magnesium;butane;carbanide?
magnesium;butane;carbanide has a molecular weight of 153.57 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butane;carbanide is sourced from PubChem (CID 59738430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).