magnesium;4-tert-butylbenzoate;2-methylbenzoate

C19H20MgO4 — CID 139776213

IUPACmagnesium;4-tert-butylbenzoate;2-methylbenzoate
SMILESCC(C)(C)c1ccc(C(=O)[O-])cc1.Cc1ccccc1C(=O)[O-].[Mg+2]
InChIInChI=1S/C11H14O2.C8H8O2.Mg/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-6-4-2-3-5-7(6)8(9)10;/h4-7H,1-3H3,(H,12,13);2-5H,1H3,(H,9,10);/q;;+2/p-2
InChIKeyLGNJGMJKDPHRFU-UHFFFAOYSA-L
MW336.67 g/mol
LogP1.33
Rot. Bonds2

About magnesium;4-tert-butylbenzoate;2-methylbenzoate

magnesium;4-tert-butylbenzoate;2-methylbenzoate (PubChem CID 139776213) has the molecular formula C19H20MgO4 and a molecular weight of 336.67 g/mol. Its IUPAC name is magnesium;4-tert-butylbenzoate;2-methylbenzoate.

Molecular Properties

Compound Namemagnesium;4-tert-butylbenzoate;2-methylbenzoate
PubChem CID139776213
Molecular FormulaC19H20MgO4
Molecular Weight336.67 g/mol
Exact Mass336.12
IUPAC Namemagnesium;4-tert-butylbenzoate;2-methylbenzoate
SMILESCC(C)(C)c1ccc(C(=O)[O-])cc1.Cc1ccccc1C(=O)[O-].[Mg+2]
InChIInChI=1S/C11H14O2.C8H8O2.Mg/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-6-4-2-3-5-7(6)8(9)10;/h4-7H,1-3H3,(H,12,13);2-5H,1H3,(H,9,10);/q;;+2/p-2
InChIKeyLGNJGMJKDPHRFU-UHFFFAOYSA-L
XLogP1.33
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.67
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

magnesium 4-tert-butylbenzoate
CID 21117899
magnesium;4-tert-butylbenzoate;hydroxide
CID 139776214
chromium(3+);formaldehyde;tris(2-methylbenzoate)
CID 19812099
(4-tert-butylbenzoyl) 2-methylbenzoate
CID 175426227
bis(2-tert-butylbenzoate);cadmium(2+)
CID 71436894
ethane;methane;2-methylbenzoate;4-methylbenzoate;2-methylbenzoic acid;bis(3-methylbenzoic acid);4-methylbenzoic acid;toluene
CID 157136290
(4-tert-butylphenyl)-diphenylsulfanium;4-fluorobenzoate
CID 87756598
2-(4-tert-butylphenoxy)benzoate
CID 22015143
trimagnesium;phthalate
CID 142758668
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
3,5-ditert-butylbenzoate;ethane;benzoate
CID 91337173
1-(2-acetylphenyl)ethanone;1-tert-butyl-4-methylbenzene
CID 143426148

Frequently Asked Questions

What is the IUPAC name of magnesium;4-tert-butylbenzoate;2-methylbenzoate?
The IUPAC name of magnesium;4-tert-butylbenzoate;2-methylbenzoate (CID 139776213) is magnesium;4-tert-butylbenzoate;2-methylbenzoate.
What is the SMILES notation for magnesium;4-tert-butylbenzoate;2-methylbenzoate?
The canonical SMILES for magnesium;4-tert-butylbenzoate;2-methylbenzoate is CC(C)(C)c1ccc(C(=O)[O-])cc1.Cc1ccccc1C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium;4-tert-butylbenzoate;2-methylbenzoate?
The InChIKey is LGNJGMJKDPHRFU-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H14O2.C8H8O2.Mg/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-6-4-2-3-5-7(6)8(9)10;/h4-7H,1-3H3,(H,12,13);2-5H,1H3,(H,9,10);/q;;+2/p-2.
What are the key properties of magnesium;4-tert-butylbenzoate;2-methylbenzoate?
magnesium;4-tert-butylbenzoate;2-methylbenzoate has a molecular weight of 336.67 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-tert-butylbenzoate;2-methylbenzoate is sourced from PubChem (CID 139776213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).