magnesium;2,4-di(butan-2-yl)benzoic acid;hydride

C15H24MgO2 — CID 174681297

IUPACmagnesium;2,4-di(butan-2-yl)benzoic acid;hydride
SMILESCCC(C)c1ccc(C(=O)O)c(C(C)CC)c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C15H22O2.Mg.2H/c1-5-10(3)12-7-8-13(15(16)17)14(9-12)11(4)6-2;;;/h7-11H,5-6H2,1-4H3,(H,16,17);;;/q;+2;2*-1
InChIKeyNNWOILGUKBKDMC-UHFFFAOYSA-N
MW260.66 g/mol
LogP4.26
Rot. Bonds5

About magnesium;2,4-di(butan-2-yl)benzoic acid;hydride

magnesium;2,4-di(butan-2-yl)benzoic acid;hydride (PubChem CID 174681297) has the molecular formula C15H24MgO2 and a molecular weight of 260.66 g/mol. Its IUPAC name is magnesium;2,4-di(butan-2-yl)benzoic acid;hydride.

Molecular Properties

Compound Namemagnesium;2,4-di(butan-2-yl)benzoic acid;hydride
PubChem CID174681297
Molecular FormulaC15H24MgO2
Molecular Weight260.66 g/mol
Exact Mass260.16
IUPAC Namemagnesium;2,4-di(butan-2-yl)benzoic acid;hydride
SMILESCCC(C)c1ccc(C(=O)O)c(C(C)CC)c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C15H22O2.Mg.2H/c1-5-10(3)12-7-8-13(15(16)17)14(9-12)11(4)6-2;;;/h7-11H,5-6H2,1-4H3,(H,16,17);;;/q;+2;2*-1
InChIKeyNNWOILGUKBKDMC-UHFFFAOYSA-N
XLogP4.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.66
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butan-2-yl-2-hydroxybenzoic acid
CID 54169876
2-butan-2-yl-4-(chloromethyl)benzoic acid
CID 175154137
5-butan-2-yl-2-butan-2-yloxybenzoic acid
CID 67568010
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
CID 71088611
4-(4-butan-2-ylbenzoyl)-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586554
methyl 4-butan-2-yl-2-methoxybenzoate
CID 123894176
6-butan-2-yl-2-phenylquinoline-4-carboxylic acid
CID 5183220
4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
CID 90075851
1,4-di(butan-2-yl)-2-methylbenzene
CID 58616694
5-(4-butan-2-ylphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82089274
2-amino-5-(4-butan-2-ylphenoxy)benzoic acid
CID 107667442
4-amino-2-(1-aminopropyl)benzoic acid
CID 130001366

Frequently Asked Questions

What is the IUPAC name of magnesium;2,4-di(butan-2-yl)benzoic acid;hydride?
The IUPAC name of magnesium;2,4-di(butan-2-yl)benzoic acid;hydride (CID 174681297) is magnesium;2,4-di(butan-2-yl)benzoic acid;hydride.
What is the SMILES notation for magnesium;2,4-di(butan-2-yl)benzoic acid;hydride?
The canonical SMILES for magnesium;2,4-di(butan-2-yl)benzoic acid;hydride is CCC(C)c1ccc(C(=O)O)c(C(C)CC)c1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2,4-di(butan-2-yl)benzoic acid;hydride?
The InChIKey is NNWOILGUKBKDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2.Mg.2H/c1-5-10(3)12-7-8-13(15(16)17)14(9-12)11(4)6-2;;;/h7-11H,5-6H2,1-4H3,(H,16,17);;;/q;+2;2*-1.
What are the key properties of magnesium;2,4-di(butan-2-yl)benzoic acid;hydride?
magnesium;2,4-di(butan-2-yl)benzoic acid;hydride has a molecular weight of 260.66 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,4-di(butan-2-yl)benzoic acid;hydride is sourced from PubChem (CID 174681297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).