magnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride

C15H32Cl2MgO4Sn — CID 174955340

IUPACmagnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride
SMILESCCCC[Sn](CC)(CC)CCCC.O=C(O)CC(=O)O.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/2C4H9.C3H4O4.2C2H5.2ClH.Mg.Sn/c2*1-3-4-2;4-2(5)1-3(6)7;2*1-2;;;;/h2*1,3-4H2,2H3;1H2,(H,4,5)(H,6,7);2*1H2,2H3;2*1H;;/q;;;;;;;+2;/p-2
InChIKeyRAWQVLKOIBWXMB-UHFFFAOYSA-L
MW490.34 g/mol
LogP-1.75
Rot. Bonds10

About magnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride

magnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride (PubChem CID 174955340) has the molecular formula C15H32Cl2MgO4Sn and a molecular weight of 490.34 g/mol. Its IUPAC name is magnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride.

Molecular Properties

Compound Namemagnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride
PubChem CID174955340
Molecular FormulaC15H32Cl2MgO4Sn
Molecular Weight490.34 g/mol
Exact Mass490.06
IUPAC Namemagnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride
SMILESCCCC[Sn](CC)(CC)CCCC.O=C(O)CC(=O)O.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/2C4H9.C3H4O4.2C2H5.2ClH.Mg.Sn/c2*1-3-4-2;4-2(5)1-3(6)7;2*1-2;;;;/h2*1,3-4H2,2H3;1H2,(H,4,5)(H,6,7);2*1H2,2H3;2*1H;;/q;;;;;;;+2;/p-2
InChIKeyRAWQVLKOIBWXMB-UHFFFAOYSA-L
XLogP-1.75
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.34
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

butan-1-ol;propanedioic acid
CID 174602760
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CID 174513661
tetrabutylstannane
CID 160899301
propanedioic acid;tetrabutylphosphanium
CID 87768954
octadecanoic acid;propanedioic acid
CID 159340862
sodium;dodecane;propanedioic acid
CID 174969045
tetrabutylstannane;hydrate
CID 87560971
calcium;propanedioic acid;dichloride
CID 172710665
methanol;propanedioic acid
CID 87156965
lithium;nonane;propanedioic acid
CID 174967507
[dibutyl(propyl)stannyl]formic acid
CID 88843444
acetic acid;1-[acetyl(dibutyl)stannyl]ethanone
CID 162317403

Frequently Asked Questions

What is the IUPAC name of magnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride?
The IUPAC name of magnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride (CID 174955340) is magnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride.
What is the SMILES notation for magnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride?
The canonical SMILES for magnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride is CCCC[Sn](CC)(CC)CCCC.O=C(O)CC(=O)O.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride?
The InChIKey is RAWQVLKOIBWXMB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H9.C3H4O4.2C2H5.2ClH.Mg.Sn/c2*1-3-4-2;4-2(5)1-3(6)7;2*1-2;;;;/h2*1,3-4H2,2H3;1H2,(H,4,5)(H,6,7);2*1H2,2H3;2*1H;;/q;;;;;;;+2;/p-2.
What are the key properties of magnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride?
magnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride has a molecular weight of 490.34 g/mol, XLogP of -1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride is sourced from PubChem (CID 174955340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).