magnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide

C12H21BrMg — CID 134859382

IUPACmagnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide
SMILESC=C[C@H]1[C@H](C(C)C)CC[C@@]1([CH2-])C.[Br-].[Mg+2]
InChIInChI=1S/C12H21.BrH.Mg/c1-6-11-10(9(2)3)7-8-12(11,4)5;;/h6,9-11H,1,4,7-8H2,2-3,5H3;1H;/q-1;;+2/p-1/t10-,11-,12+;;/m0../s1
InChIKeyNARLDODJSWVSBF-KTEWQINWSA-M
MW269.51 g/mol
LogP0.32
Rot. Bonds2

About magnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide

magnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide (PubChem CID 134859382) has the molecular formula C12H21BrMg and a molecular weight of 269.51 g/mol. Its IUPAC name is magnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide.

Molecular Properties

Compound Namemagnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide
PubChem CID134859382
Molecular FormulaC12H21BrMg
Molecular Weight269.51 g/mol
Exact Mass268.07
IUPAC Namemagnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide
SMILESC=C[C@H]1[C@H](C(C)C)CC[C@@]1([CH2-])C.[Br-].[Mg+2]
InChIInChI=1S/C12H21.BrH.Mg/c1-6-11-10(9(2)3)7-8-12(11,4)5;;/h6,9-11H,1,4,7-8H2,2-3,5H3;1H;/q-1;;+2/p-1/t10-,11-,12+;;/m0../s1
InChIKeyNARLDODJSWVSBF-KTEWQINWSA-M
XLogP0.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.51
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide?
The IUPAC name of magnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide (CID 134859382) is magnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide.
What is the SMILES notation for magnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide?
The canonical SMILES for magnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide is C=C[C@H]1[C@H](C(C)C)CC[C@@]1([CH2-])C.[Br-].[Mg+2].
What is the InChIKey of magnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide?
The InChIKey is NARLDODJSWVSBF-KTEWQINWSA-M. The full InChI is InChI=1S/C12H21.BrH.Mg/c1-6-11-10(9(2)3)7-8-12(11,4)5;;/h6,9-11H,1,4,7-8H2,2-3,5H3;1H;/q-1;;+2/p-1/t10-,11-,12+;;/m0../s1.
What are the key properties of magnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide?
magnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide has a molecular weight of 269.51 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(1R,2S,3S)-2-ethenyl-1-methanidyl-1-methyl-3-propan-2-ylcyclopentane;bromide is sourced from PubChem (CID 134859382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).