magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide

C16H29BrMgO4 — CID 135050395

IUPACmagnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide
SMILES[Br-].[CH2-][C@@H](C)[C@H]1O[C@@H](C)O[C@H]([C@]2(C)O[C@@H](C)O[C@H]2CC)[C@H]1C.[Mg+2]
InChIInChI=1S/C16H29O4.BrH.Mg/c1-8-13-16(7,20-12(6)17-13)15-10(4)14(9(2)3)18-11(5)19-15;;/h9-15H,2,8H2,1,3-7H3;1H;/q-1;;+2/p-1/t9-,10-,11+,12-,13-,14+,15-,16+;;/m0../s1
InChIKeyZPHADMAUUXDSOB-ITWRWBIQSA-M
MW389.61 g/mol
LogP-0.22
Rot. Bonds3

About magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide

magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide (PubChem CID 135050395) has the molecular formula C16H29BrMgO4 and a molecular weight of 389.61 g/mol. Its IUPAC name is magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide.

Molecular Properties

Compound Namemagnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide
PubChem CID135050395
Molecular FormulaC16H29BrMgO4
Molecular Weight389.61 g/mol
Exact Mass388.11
IUPAC Namemagnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide
SMILES[Br-].[CH2-][C@@H](C)[C@H]1O[C@@H](C)O[C@H]([C@]2(C)O[C@@H](C)O[C@H]2CC)[C@H]1C.[Mg+2]
InChIInChI=1S/C16H29O4.BrH.Mg/c1-8-13-16(7,20-12(6)17-13)15-10(4)14(9(2)3)18-11(5)19-15;;/h9-15H,2,8H2,1,3-7H3;1H;/q-1;;+2/p-1/t9-,10-,11+,12-,13-,14+,15-,16+;;/m0../s1
InChIKeyZPHADMAUUXDSOB-ITWRWBIQSA-M
XLogP-0.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.61
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide?
The IUPAC name of magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide (CID 135050395) is magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide.
What is the SMILES notation for magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide?
The canonical SMILES for magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide is [Br-].[CH2-][C@@H](C)[C@H]1O[C@@H](C)O[C@H]([C@]2(C)O[C@@H](C)O[C@H]2CC)[C@H]1C.[Mg+2].
What is the InChIKey of magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide?
The InChIKey is ZPHADMAUUXDSOB-ITWRWBIQSA-M. The full InChI is InChI=1S/C16H29O4.BrH.Mg/c1-8-13-16(7,20-12(6)17-13)15-10(4)14(9(2)3)18-11(5)19-15;;/h9-15H,2,8H2,1,3-7H3;1H;/q-1;;+2/p-1/t9-,10-,11+,12-,13-,14+,15-,16+;;/m0../s1.
What are the key properties of magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide?
magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide has a molecular weight of 389.61 g/mol, XLogP of -0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane;bromide is sourced from PubChem (CID 135050395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).