magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride

C32H56ClMgNO3 — CID 159341075

IUPACmagnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride
SMILESC.C1C23CC12C3.CC(=O)NCC12CC(C(C)(C)C)(C1)C2.CC(C)(C)C12CC(C(=O)O)(C1)C2.C[C-](C)C.[Cl-].[Mg+2]
InChIInChI=1S/C12H21NO.C10H16O2.C5H6.C4H9.CH4.ClH.Mg/c1-9(14)13-8-11-5-12(6-11,7-11)10(2,3)4;1-8(2,3)10-4-9(5-10,6-10)7(11)12;1-4-2-5(1,4)3-4;1-4(2)3;;;/h5-8H2,1-4H3,(H,13,14);4-6H2,1-3H3,(H,11,12);1-3H2;1-3H3;1H4;1H;/q;;;-1;;;+2/p-1
InChIKeyMVYKZRAWSVCLIV-UHFFFAOYSA-M
MW562.56 g/mol
LogP4.68
Rot. Bonds3

About magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride

magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride (PubChem CID 159341075) has the molecular formula C32H56ClMgNO3 and a molecular weight of 562.56 g/mol. Its IUPAC name is magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride.

Molecular Properties

Compound Namemagnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride
PubChem CID159341075
Molecular FormulaC32H56ClMgNO3
Molecular Weight562.56 g/mol
Exact Mass561.38
IUPAC Namemagnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride
SMILESC.C1C23CC12C3.CC(=O)NCC12CC(C(C)(C)C)(C1)C2.CC(C)(C)C12CC(C(=O)O)(C1)C2.C[C-](C)C.[Cl-].[Mg+2]
InChIInChI=1S/C12H21NO.C10H16O2.C5H6.C4H9.CH4.ClH.Mg/c1-9(14)13-8-11-5-12(6-11,7-11)10(2,3)4;1-8(2,3)10-4-9(5-10,6-10)7(11)12;1-4-2-5(1,4)3-4;1-4(2)3;;;/h5-8H2,1-4H3,(H,13,14);4-6H2,1-3H3,(H,11,12);1-3H2;1-3H3;1H4;1H;/q;;;-1;;;+2/p-1
InChIKeyMVYKZRAWSVCLIV-UHFFFAOYSA-M
XLogP4.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.56
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride?
The IUPAC name of magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride (CID 159341075) is magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride.
What is the SMILES notation for magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride?
The canonical SMILES for magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride is C.C1C23CC12C3.CC(=O)NCC12CC(C(C)(C)C)(C1)C2.CC(C)(C)C12CC(C(=O)O)(C1)C2.C[C-](C)C.[Cl-].[Mg+2].
What is the InChIKey of magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride?
The InChIKey is MVYKZRAWSVCLIV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H21NO.C10H16O2.C5H6.C4H9.CH4.ClH.Mg/c1-9(14)13-8-11-5-12(6-11,7-11)10(2,3)4;1-8(2,3)10-4-9(5-10,6-10)7(11)12;1-4-2-5(1,4)3-4;1-4(2)3;;;/h5-8H2,1-4H3,(H,13,14);4-6H2,1-3H3,(H,11,12);1-3H2;1-3H3;1H4;1H;/q;;;-1;;;+2/p-1.
What are the key properties of magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride?
magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride has a molecular weight of 562.56 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;methane;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride is sourced from PubChem (CID 159341075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).