magnesium;butyl 2-hydroxybenzoate;chromium;hydride

C11H16CrMgO3 — CID 174457991

IUPACmagnesium;butyl 2-hydroxybenzoate;chromium;hydride
SMILESCCCCOC(=O)c1ccccc1O.[Cr].[H-].[H-].[Mg+2]
InChIInChI=1S/C11H14O3.Cr.Mg.2H/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12;;;;/h4-7,12H,2-3,8H2,1H3;;;;/q;;+2;2*-1
InChIKeyXMELMSAXOYBUCL-UHFFFAOYSA-N
MW272.55 g/mol
LogP2.19
Rot. Bonds4

About magnesium;butyl 2-hydroxybenzoate;chromium;hydride

magnesium;butyl 2-hydroxybenzoate;chromium;hydride (PubChem CID 174457991) has the molecular formula C11H16CrMgO3 and a molecular weight of 272.55 g/mol. Its IUPAC name is magnesium;butyl 2-hydroxybenzoate;chromium;hydride.

Molecular Properties

Compound Namemagnesium;butyl 2-hydroxybenzoate;chromium;hydride
PubChem CID174457991
Molecular FormulaC11H16CrMgO3
Molecular Weight272.55 g/mol
Exact Mass272.04
IUPAC Namemagnesium;butyl 2-hydroxybenzoate;chromium;hydride
SMILESCCCCOC(=O)c1ccccc1O.[Cr].[H-].[H-].[Mg+2]
InChIInChI=1S/C11H14O3.Cr.Mg.2H/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12;;;;/h4-7,12H,2-3,8H2,1H3;;;;/q;;+2;2*-1
InChIKeyXMELMSAXOYBUCL-UHFFFAOYSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.55
LogP ≤ 52.19
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

benzene;butyl 2-hydroxybenzoate;carbonic acid
CID 158989973
butyl 2-hydroxybenzoate;carbonic acid
CID 146405927
calcium;hydride;tetradecyl 2-hydroxybenzoate
CID 174852965
sodium;hydride;octadecyl 2-hydroxybenzoate
CID 174913846
icosyl 2-hydroxybenzoate
CID 19044963
hexacosyl 2-hydroxybenzoate
CID 19044965
hexyl 2-hydroxybenzoate
CID 22629
sodium;dibutyl benzene-1,2-dicarboxylate;hydride
CID 174330340
butyl 2-hydroxybenzoate;butyl pentanoate
CID 174922540
dibutyl benzene-1,2-dicarboxylate
CID 69108201
(2-butoxycarbonylphenyl) 2-hydroxybenzoate
CID 59687397
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080

Frequently Asked Questions

What is the IUPAC name of magnesium;butyl 2-hydroxybenzoate;chromium;hydride?
The IUPAC name of magnesium;butyl 2-hydroxybenzoate;chromium;hydride (CID 174457991) is magnesium;butyl 2-hydroxybenzoate;chromium;hydride.
What is the SMILES notation for magnesium;butyl 2-hydroxybenzoate;chromium;hydride?
The canonical SMILES for magnesium;butyl 2-hydroxybenzoate;chromium;hydride is CCCCOC(=O)c1ccccc1O.[Cr].[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;butyl 2-hydroxybenzoate;chromium;hydride?
The InChIKey is XMELMSAXOYBUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.Cr.Mg.2H/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12;;;;/h4-7,12H,2-3,8H2,1H3;;;;/q;;+2;2*-1.
What are the key properties of magnesium;butyl 2-hydroxybenzoate;chromium;hydride?
magnesium;butyl 2-hydroxybenzoate;chromium;hydride has a molecular weight of 272.55 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butyl 2-hydroxybenzoate;chromium;hydride is sourced from PubChem (CID 174457991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).