magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide

C19H21BrMgOSi — CID 10916308

IUPACmagnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide
SMILES[Br-].[C-]#CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[Mg+2]
InChIInChI=1S/C19H21OSi.BrH.Mg/c1-5-16-20-21(19(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18;;/h6-15H,16H2,2-4H3;1H;/q-1;;+2/p-1
InChIKeyDZTRGOPBSZQGLY-UHFFFAOYSA-M
MW397.67 g/mol
LogP-0.22
Rot. Bonds4

About magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide

magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide (PubChem CID 10916308) has the molecular formula C19H21BrMgOSi and a molecular weight of 397.67 g/mol. Its IUPAC name is magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide.

Molecular Properties

Compound Namemagnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide
PubChem CID10916308
Molecular FormulaC19H21BrMgOSi
Molecular Weight397.67 g/mol
Exact Mass396.04
IUPAC Namemagnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide
SMILES[Br-].[C-]#CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[Mg+2]
InChIInChI=1S/C19H21OSi.BrH.Mg/c1-5-16-20-21(19(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18;;/h6-15H,16H2,2-4H3;1H;/q-1;;+2/p-1
InChIKeyDZTRGOPBSZQGLY-UHFFFAOYSA-M
XLogP-0.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.67
LogP ≤ 5-0.22
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[tert-butyl(diphenyl)silyl]oxybut-2-ynyl methanesulfonate
CID 141229051
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide?
The IUPAC name of magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide (CID 10916308) is magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide.
What is the SMILES notation for magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide?
The canonical SMILES for magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide is [Br-].[C-]#CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[Mg+2].
What is the InChIKey of magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide?
The InChIKey is DZTRGOPBSZQGLY-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21OSi.BrH.Mg/c1-5-16-20-21(19(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18;;/h6-15H,16H2,2-4H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide?
magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide has a molecular weight of 397.67 g/mol, XLogP of -0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide is sourced from PubChem (CID 10916308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).