magnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide

C16H27BrMgOSi — CID 10666681

IUPACmagnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide
SMILESCC(C)(C)c1c[c-]ccc1O[Si](C)(C)C(C)(C)C.[Br-].[Mg+2]
InChIInChI=1S/C16H27OSi.BrH.Mg/c1-15(2,3)13-11-9-10-12-14(13)17-18(7,8)16(4,5)6;;/h10-12H,1-8H3;1H;/q-1;;+2/p-1
InChIKeyKTNDXJXTIOBICR-UHFFFAOYSA-M
MW367.69 g/mol
LogP1.79
Rot. Bonds2

About magnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide

magnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide (PubChem CID 10666681) has the molecular formula C16H27BrMgOSi and a molecular weight of 367.69 g/mol. Its IUPAC name is magnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide.

Molecular Properties

Compound Namemagnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide
PubChem CID10666681
Molecular FormulaC16H27BrMgOSi
Molecular Weight367.69 g/mol
Exact Mass366.09
IUPAC Namemagnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide
SMILESCC(C)(C)c1c[c-]ccc1O[Si](C)(C)C(C)(C)C.[Br-].[Mg+2]
InChIInChI=1S/C16H27OSi.BrH.Mg/c1-15(2,3)13-11-9-10-12-14(13)17-18(7,8)16(4,5)6;;/h10-12H,1-8H3;1H;/q-1;;+2/p-1
InChIKeyKTNDXJXTIOBICR-UHFFFAOYSA-M
XLogP1.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.69
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide?
The IUPAC name of magnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide (CID 10666681) is magnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide.
What is the SMILES notation for magnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide?
The canonical SMILES for magnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide is CC(C)(C)c1c[c-]ccc1O[Si](C)(C)C(C)(C)C.[Br-].[Mg+2].
What is the InChIKey of magnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide?
The InChIKey is KTNDXJXTIOBICR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H27OSi.BrH.Mg/c1-15(2,3)13-11-9-10-12-14(13)17-18(7,8)16(4,5)6;;/h10-12H,1-8H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide?
magnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide has a molecular weight of 367.69 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;tert-butyl-(2-tert-butylbenzene-4-id-1-yl)oxy-dimethylsilane;bromide is sourced from PubChem (CID 10666681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).