magnesium;hydride;2,2,3-trimethylpentanoic acid

C8H18MgO2 — CID 175225022

IUPACmagnesium;hydride;2,2,3-trimethylpentanoic acid
SMILESCCC(C)C(C)(C)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H16O2.Mg.2H/c1-5-6(2)8(3,4)7(9)10;;;/h6H,5H2,1-4H3,(H,9,10);;;/q;+2;2*-1
InChIKeyXGDWBNMEKSRQMF-UHFFFAOYSA-N
MW170.53 g/mol
LogP1.99
Rot. Bonds3

About magnesium;hydride;2,2,3-trimethylpentanoic acid

magnesium;hydride;2,2,3-trimethylpentanoic acid (PubChem CID 175225022) has the molecular formula C8H18MgO2 and a molecular weight of 170.53 g/mol. Its IUPAC name is magnesium;hydride;2,2,3-trimethylpentanoic acid.

Molecular Properties

Compound Namemagnesium;hydride;2,2,3-trimethylpentanoic acid
PubChem CID175225022
Molecular FormulaC8H18MgO2
Molecular Weight170.53 g/mol
Exact Mass170.12
IUPAC Namemagnesium;hydride;2,2,3-trimethylpentanoic acid
SMILESCCC(C)C(C)(C)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H16O2.Mg.2H/c1-5-6(2)8(3,4)7(9)10;;;/h6H,5H2,1-4H3,(H,9,10);;;/q;+2;2*-1
InChIKeyXGDWBNMEKSRQMF-UHFFFAOYSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.53
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride
CID 174967495
silver;2,2,3,5-tetramethylhexanoic acid
CID 169177774
4-methoxy-2,2,3-trimethylbutanoic acid
CID 79426196
3-hydroxy-2,2,4-trimethylhexanoic acid
CID 62397285
2-tert-butylperoxy-2-methylpropane;2,2,3-trimethylhexanoic acid
CID 146295425
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
azane;2,2,3-trimethylhexanedioic acid
CID 175059163
acetyl 2,2,3-trimethylpentanoate
CID 138692448
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);2,2,3-trimethylbutanoic acid
CID 159916720
3-ethyl-2,2-dimethyl-4-oxopentanoic acid
CID 174469035
2,2,3-trimethyl-4-oxohexanoic acid
CID 88507803

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;2,2,3-trimethylpentanoic acid?
The IUPAC name of magnesium;hydride;2,2,3-trimethylpentanoic acid (CID 175225022) is magnesium;hydride;2,2,3-trimethylpentanoic acid.
What is the SMILES notation for magnesium;hydride;2,2,3-trimethylpentanoic acid?
The canonical SMILES for magnesium;hydride;2,2,3-trimethylpentanoic acid is CCC(C)C(C)(C)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2,2,3-trimethylpentanoic acid?
The InChIKey is XGDWBNMEKSRQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.Mg.2H/c1-5-6(2)8(3,4)7(9)10;;;/h6H,5H2,1-4H3,(H,9,10);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;2,2,3-trimethylpentanoic acid?
magnesium;hydride;2,2,3-trimethylpentanoic acid has a molecular weight of 170.53 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2,2,3-trimethylpentanoic acid is sourced from PubChem (CID 175225022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).