magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide

C37H53BrMgO2Si — CID 11125202

IUPACmagnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide
SMILES[Br-].[CH2-]CCCCCCCCC[C@H](CCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[Mg+2]
InChIInChI=1S/C37H53O2Si.BrH.Mg/c1-5-6-7-8-9-10-11-17-25-34(26-22-31-38-32-33-23-15-12-16-24-33)39-40(37(2,3)4,35-27-18-13-19-28-35)36-29-20-14-21-30-36;;/h12-16,18-21,23-24,27-30,34H,1,5-11,17,22,25-26,31-32H2,2-4H3;1H;/q-1;;+2/p-1/t34-;;/m1../s1
InChIKeyRJJNYEUOERDVSW-GTUFUJRRSA-M
MW662.12 g/mol
LogP5.90
Rot. Bonds19

About magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide

magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide (PubChem CID 11125202) has the molecular formula C37H53BrMgO2Si and a molecular weight of 662.12 g/mol. Its IUPAC name is magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide.

Molecular Properties

Compound Namemagnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide
PubChem CID11125202
Molecular FormulaC37H53BrMgO2Si
Molecular Weight662.12 g/mol
Exact Mass660.28
IUPAC Namemagnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide
SMILES[Br-].[CH2-]CCCCCCCCC[C@H](CCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[Mg+2]
InChIInChI=1S/C37H53O2Si.BrH.Mg/c1-5-6-7-8-9-10-11-17-25-34(26-22-31-38-32-33-23-15-12-16-24-33)39-40(37(2,3)4,35-27-18-13-19-28-35)36-29-20-14-21-30-36;;/h12-16,18-21,23-24,27-30,34H,1,5-11,17,22,25-26,31-32H2,2-4H3;1H;/q-1;;+2/p-1/t34-;;/m1../s1
InChIKeyRJJNYEUOERDVSW-GTUFUJRRSA-M
XLogP5.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.12
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
CID 134833176
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane
CID 134872566
tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
CID 57341570
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal
CID 11168008
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
[(5S,9R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-13-phenylmethoxytridec-6-ynoxy]-tert-butyl-diphenylsilane
CID 164671859
tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane
CID 10030673
1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane
CID 19825362
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide?
The IUPAC name of magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide (CID 11125202) is magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide.
What is the SMILES notation for magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide?
The canonical SMILES for magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide is [Br-].[CH2-]CCCCCCCCC[C@H](CCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[Mg+2].
What is the InChIKey of magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide?
The InChIKey is RJJNYEUOERDVSW-GTUFUJRRSA-M. The full InChI is InChI=1S/C37H53O2Si.BrH.Mg/c1-5-6-7-8-9-10-11-17-25-34(26-22-31-38-32-33-23-15-12-16-24-33)39-40(37(2,3)4,35-27-18-13-19-28-35)36-29-20-14-21-30-36;;/h12-16,18-21,23-24,27-30,34H,1,5-11,17,22,25-26,31-32H2,2-4H3;1H;/q-1;;+2/p-1/t34-;;/m1../s1.
What are the key properties of magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide?
magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide has a molecular weight of 662.12 g/mol, XLogP of 5.90, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide is sourced from PubChem (CID 11125202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).