magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride

C13H23ClMgOSi — CID 173072447

IUPACmagnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCl)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C13H21ClOSi.Mg.2H/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12;;;/h6-9H,10H2,1-5H3;;;/q;+2;2*-1
InChIKeyOCMDDYFXNNXZDQ-UHFFFAOYSA-N
MW283.17 g/mol
LogP4.65
Rot. Bonds3

About magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride

magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride (PubChem CID 173072447) has the molecular formula C13H23ClMgOSi and a molecular weight of 283.17 g/mol. Its IUPAC name is magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride.

Molecular Properties

Compound Namemagnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride
PubChem CID173072447
Molecular FormulaC13H23ClMgOSi
Molecular Weight283.17 g/mol
Exact Mass282.11
IUPAC Namemagnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCl)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C13H21ClOSi.Mg.2H/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12;;;/h6-9H,10H2,1-5H3;;;/q;+2;2*-1
InChIKeyOCMDDYFXNNXZDQ-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine
CID 10801667
4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]butanal
CID 155935075
tert-butyl-dimethyl-[4-(2-triethylsilyloxyethyl)phenoxy]silane
CID 100946322
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 535218
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide
CID 10393091
tert-butyl-dimethyl-[4-(2-methylprop-2-enoxymethyl)phenoxy]silane
CID 10517786
3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propane-1-sulfonate
CID 86632451
tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate
CID 102018179
[4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane
CID 59167851
tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane
CID 59440862

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride?
The IUPAC name of magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride (CID 173072447) is magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride.
What is the SMILES notation for magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride?
The canonical SMILES for magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride is CC(C)(C)[Si](C)(C)Oc1ccc(CCl)cc1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride?
The InChIKey is OCMDDYFXNNXZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClOSi.Mg.2H/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12;;;/h6-9H,10H2,1-5H3;;;/q;+2;2*-1.
What are the key properties of magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride?
magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride has a molecular weight of 283.17 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride is sourced from PubChem (CID 173072447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).