magnesium;2,2-dimethyloctanoic acid;hydride

C10H22MgO2 — CID 173414745

IUPACmagnesium;2,2-dimethyloctanoic acid;hydride
SMILESCCCCCCC(C)(C)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H20O2.Mg.2H/c1-4-5-6-7-8-10(2,3)9(11)12;;;/h4-8H2,1-3H3,(H,11,12);;;/q;+2;2*-1
InChIKeyCAEBUJOOSCRLAQ-UHFFFAOYSA-N
MW198.59 g/mol
LogP2.91
Rot. Bonds6

About magnesium;2,2-dimethyloctanoic acid;hydride

magnesium;2,2-dimethyloctanoic acid;hydride (PubChem CID 173414745) has the molecular formula C10H22MgO2 and a molecular weight of 198.59 g/mol. Its IUPAC name is magnesium;2,2-dimethyloctanoic acid;hydride.

Molecular Properties

Compound Namemagnesium;2,2-dimethyloctanoic acid;hydride
PubChem CID173414745
Molecular FormulaC10H22MgO2
Molecular Weight198.59 g/mol
Exact Mass198.15
IUPAC Namemagnesium;2,2-dimethyloctanoic acid;hydride
SMILESCCCCCCC(C)(C)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H20O2.Mg.2H/c1-4-5-6-7-8-10(2,3)9(11)12;;;/h4-8H2,1-3H3,(H,11,12);;;/q;+2;2*-1
InChIKeyCAEBUJOOSCRLAQ-UHFFFAOYSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.59
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyldocosanoic acid
CID 23471202
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide
CID 173063198
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
7-hydroxy-2,2-dimethyltridecanoic acid
CID 59660145
magnesium;2-decyl-2-dodecylpropanedioic acid;hydride
CID 174968666
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
2,2,3,3-tetramethylheptadecanoic acid
CID 54420506
6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid
CID 175725227
2,2-dimethyldecanamide
CID 22596903
calcium;2-dodecyl-2-heptylpropanedioic acid;hydride
CID 174968518

Frequently Asked Questions

What is the IUPAC name of magnesium;2,2-dimethyloctanoic acid;hydride?
The IUPAC name of magnesium;2,2-dimethyloctanoic acid;hydride (CID 173414745) is magnesium;2,2-dimethyloctanoic acid;hydride.
What is the SMILES notation for magnesium;2,2-dimethyloctanoic acid;hydride?
The canonical SMILES for magnesium;2,2-dimethyloctanoic acid;hydride is CCCCCCC(C)(C)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2,2-dimethyloctanoic acid;hydride?
The InChIKey is CAEBUJOOSCRLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.Mg.2H/c1-4-5-6-7-8-10(2,3)9(11)12;;;/h4-8H2,1-3H3,(H,11,12);;;/q;+2;2*-1.
What are the key properties of magnesium;2,2-dimethyloctanoic acid;hydride?
magnesium;2,2-dimethyloctanoic acid;hydride has a molecular weight of 198.59 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,2-dimethyloctanoic acid;hydride is sourced from PubChem (CID 173414745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).