magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide

C19H33BrMgO3Si — CID 11144701

IUPACmagnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide
SMILES[Br-].[CH2-]C[C@H](COCOCc1ccccc1)CO[Si](C)(C)C(C)(C)C.[Mg+2]
InChIInChI=1S/C19H33O3Si.BrH.Mg/c1-7-17(15-22-23(5,6)19(2,3)4)13-20-16-21-14-18-11-9-8-10-12-18;;/h8-12,17H,1,7,13-16H2,2-6H3;1H;/q-1;;+2/p-1/t17-;;/m1../s1
InChIKeyATYIIQGXZBAVBW-ZEECNFPPSA-M
MW441.77 g/mol
LogP1.66
Rot. Bonds10

About magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide

magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide (PubChem CID 11144701) has the molecular formula C19H33BrMgO3Si and a molecular weight of 441.77 g/mol. Its IUPAC name is magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide.

Molecular Properties

Compound Namemagnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide
PubChem CID11144701
Molecular FormulaC19H33BrMgO3Si
Molecular Weight441.77 g/mol
Exact Mass440.12
IUPAC Namemagnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide
SMILES[Br-].[CH2-]C[C@H](COCOCc1ccccc1)CO[Si](C)(C)C(C)(C)C.[Mg+2]
InChIInChI=1S/C19H33O3Si.BrH.Mg/c1-7-17(15-22-23(5,6)19(2,3)4)13-20-16-21-14-18-11-9-8-10-12-18;;/h8-12,17H,1,7,13-16H2,2-6H3;1H;/q-1;;+2/p-1/t17-;;/m1../s1
InChIKeyATYIIQGXZBAVBW-ZEECNFPPSA-M
XLogP1.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.77
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane
CID 68648592
2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid
CID 19350803
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate
CID 142613828
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-methoxyethoxymethoxymethyl)-3-phenylmethoxypropan-1-ol
CID 10342557
(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal
CID 11650644
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
(1R,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(phenylmethoxymethoxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11270063
tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane
CID 11075026
tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane
CID 42644288

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide?
The IUPAC name of magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide (CID 11144701) is magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide.
What is the SMILES notation for magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide?
The canonical SMILES for magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide is [Br-].[CH2-]C[C@H](COCOCc1ccccc1)CO[Si](C)(C)C(C)(C)C.[Mg+2].
What is the InChIKey of magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide?
The InChIKey is ATYIIQGXZBAVBW-ZEECNFPPSA-M. The full InChI is InChI=1S/C19H33O3Si.BrH.Mg/c1-7-17(15-22-23(5,6)19(2,3)4)13-20-16-21-14-18-11-9-8-10-12-18;;/h8-12,17H,1,7,13-16H2,2-6H3;1H;/q-1;;+2/p-1/t17-;;/m1../s1.
What are the key properties of magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide?
magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide has a molecular weight of 441.77 g/mol, XLogP of 1.66, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;tert-butyl-dimethyl-[(2R)-2-(phenylmethoxymethoxymethyl)butoxy]silane;bromide is sourced from PubChem (CID 11144701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).