magnesium;butyl 2-hydroxyacetate;hydride

C6H14MgO3 — CID 173215691

IUPACmagnesium;butyl 2-hydroxyacetate;hydride
SMILESCCCCOC(=O)CO.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H12O3.Mg.2H/c1-2-3-4-9-6(8)5-7;;;/h7H,2-5H2,1H3;;;/q;+2;2*-1
InChIKeyRIMIKISQBDHPDJ-UHFFFAOYSA-N
MW158.48 g/mol
LogP0.17
Rot. Bonds4

About magnesium;butyl 2-hydroxyacetate;hydride

magnesium;butyl 2-hydroxyacetate;hydride (PubChem CID 173215691) has the molecular formula C6H14MgO3 and a molecular weight of 158.48 g/mol. Its IUPAC name is magnesium;butyl 2-hydroxyacetate;hydride.

Molecular Properties

Compound Namemagnesium;butyl 2-hydroxyacetate;hydride
PubChem CID173215691
Molecular FormulaC6H14MgO3
Molecular Weight158.48 g/mol
Exact Mass158.08
IUPAC Namemagnesium;butyl 2-hydroxyacetate;hydride
SMILESCCCCOC(=O)CO.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H12O3.Mg.2H/c1-2-3-4-9-6(8)5-7;;;/h7H,2-5H2,1H3;;;/q;+2;2*-1
InChIKeyRIMIKISQBDHPDJ-UHFFFAOYSA-N
XLogP0.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.48
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;tetradecyl 2-hydroxyacetate
CID 174584352
hexacosyl 2-hydroxyacetate
CID 156789960
6-butoxyhexyl 2-hydroxyacetate
CID 151151015
CID 87119570
CID 87119570
magnesium;dibutyl carbonate;hydride
CID 174500135
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tridecyl 2-hydroxyacetate
CID 159507020
6-hydroxytridecyl 2-hydroxyacetate
CID 121405219
dibutyl heptadecanedioate
CID 87117348
1-O-butyl 6-O-(2-hydroxyethyl) hexanedioate
CID 87069047
butyl butanoate;propane-1,2-diol
CID 159909381
3-butoxy-3-oxopropanoic acid
CID 21201188
1-O-butyl 4-O-heptyl butanedioate
CID 91701655

Frequently Asked Questions

What is the IUPAC name of magnesium;butyl 2-hydroxyacetate;hydride?
The IUPAC name of magnesium;butyl 2-hydroxyacetate;hydride (CID 173215691) is magnesium;butyl 2-hydroxyacetate;hydride.
What is the SMILES notation for magnesium;butyl 2-hydroxyacetate;hydride?
The canonical SMILES for magnesium;butyl 2-hydroxyacetate;hydride is CCCCOC(=O)CO.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;butyl 2-hydroxyacetate;hydride?
The InChIKey is RIMIKISQBDHPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.Mg.2H/c1-2-3-4-9-6(8)5-7;;;/h7H,2-5H2,1H3;;;/q;+2;2*-1.
What are the key properties of magnesium;butyl 2-hydroxyacetate;hydride?
magnesium;butyl 2-hydroxyacetate;hydride has a molecular weight of 158.48 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butyl 2-hydroxyacetate;hydride is sourced from PubChem (CID 173215691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).