magnesium;2-ethyladamantan-2-olate;chloride

C12H19ClMgO — CID 141311408

IUPACmagnesium;2-ethyladamantan-2-olate;chloride
SMILESCCC1([O-])C2CC3CC(C2)CC1C3.[Cl-].[Mg+2]
InChIInChI=1S/C12H19O.ClH.Mg/c1-2-12(13)10-4-8-3-9(6-10)7-11(12)5-8;;/h8-11H,2-7H2,1H3;1H;/q-1;;+2/p-1
InChIKeyRXFJQFOTVXZSEL-UHFFFAOYSA-M
MW239.04 g/mol
LogP-1.43
Rot. Bonds1

About magnesium;2-ethyladamantan-2-olate;chloride

magnesium;2-ethyladamantan-2-olate;chloride (PubChem CID 141311408) has the molecular formula C12H19ClMgO and a molecular weight of 239.04 g/mol. Its IUPAC name is magnesium;2-ethyladamantan-2-olate;chloride.

Molecular Properties

Compound Namemagnesium;2-ethyladamantan-2-olate;chloride
PubChem CID141311408
Molecular FormulaC12H19ClMgO
Molecular Weight239.04 g/mol
Exact Mass238.10
IUPAC Namemagnesium;2-ethyladamantan-2-olate;chloride
SMILESCCC1([O-])C2CC3CC(C2)CC1C3.[Cl-].[Mg+2]
InChIInChI=1S/C12H19O.ClH.Mg/c1-2-12(13)10-4-8-3-9(6-10)7-11(12)5-8;;/h8-11H,2-7H2,1H3;1H;/q-1;;+2/p-1
InChIKeyRXFJQFOTVXZSEL-UHFFFAOYSA-M
XLogP-1.43
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.04
LogP ≤ 5-1.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-methyladamantane
CID 21349236
N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine
CID 163518738
2-ethyladamantane-2-carboxylic acid
CID 18547676
sodium 2-propan-2-yladamantan-2-olate
CID 169224760
2,2-dimethyladamantane;ethane
CID 91483373
2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane
CID 139963498
2,2-di(ethyl)adamantane;yttrium
CID 162698514
2,2-diethyladamantan-1-ol
CID 22670607
2-(2,2-dimethylbutoxy)-2-ethyladamantane
CID 58195744
2,2-dimethyladamantane;bis(1,1-dimethylcyclohexane);bis(1,1-dimethylcyclopentane);2-ethyl-2-methyladamantane
CID 160775721
bis(2-methyl-2-adamantyl)diazene
CID 134985564
3,3-diethylbicyclo[3.1.1]heptane
CID 140814680

Frequently Asked Questions

What is the IUPAC name of magnesium;2-ethyladamantan-2-olate;chloride?
The IUPAC name of magnesium;2-ethyladamantan-2-olate;chloride (CID 141311408) is magnesium;2-ethyladamantan-2-olate;chloride.
What is the SMILES notation for magnesium;2-ethyladamantan-2-olate;chloride?
The canonical SMILES for magnesium;2-ethyladamantan-2-olate;chloride is CCC1([O-])C2CC3CC(C2)CC1C3.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-ethyladamantan-2-olate;chloride?
The InChIKey is RXFJQFOTVXZSEL-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H19O.ClH.Mg/c1-2-12(13)10-4-8-3-9(6-10)7-11(12)5-8;;/h8-11H,2-7H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-ethyladamantan-2-olate;chloride?
magnesium;2-ethyladamantan-2-olate;chloride has a molecular weight of 239.04 g/mol, XLogP of -1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-ethyladamantan-2-olate;chloride is sourced from PubChem (CID 141311408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).