bromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane

C15H31BrO2Si2Zn — CID 134887088

IUPACbromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1C=[C-]C(O[Si](C)(C)C)CC1.[Zn+]Br
InChIInChI=1S/C15H31O2Si2.BrH.Zn/c1-15(2,3)19(7,8)17-14-11-9-13(10-12-14)16-18(4,5)6;;/h12-14H,9,11H2,1-8H3;1H;/q-1;;+2/p-1
InChIKeyVYHLDKOETBAPHL-UHFFFAOYSA-M
MW444.88 g/mol
LogP5.59
Rot. Bonds4

About bromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane

bromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane (PubChem CID 134887088) has the molecular formula C15H31BrO2Si2Zn and a molecular weight of 444.88 g/mol. Its IUPAC name is bromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane.

Molecular Properties

Compound Namebromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane
PubChem CID134887088
Molecular FormulaC15H31BrO2Si2Zn
Molecular Weight444.88 g/mol
Exact Mass442.03
IUPAC Namebromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1C=[C-]C(O[Si](C)(C)C)CC1.[Zn+]Br
InChIInChI=1S/C15H31O2Si2.BrH.Zn/c1-15(2,3)19(7,8)17-14-11-9-13(10-12-14)16-18(4,5)6;;/h12-14H,9,11H2,1-8H3;1H;/q-1;;+2/p-1
InChIKeyVYHLDKOETBAPHL-UHFFFAOYSA-M
XLogP5.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.88
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohex-2-en-1-yloxy-dimethylsilyloxy-dimethylsilane
CID 146161495
tert-Butyl(cyclohex-2-enyloxy)dimethylsilane
CID 11085130
Cyclohex-2-en-1-yloxy(triethyl)silane
CID 86123156
Tert-butyl-dimethyl-(2-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane
CID 134858143
tert-butyl-[(1S)-cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 12552369
Cyclohex-2-en-1-yloxy-tri(propan-2-yl)silane
CID 15931230
tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10774968
tert-butyl-dimethyl-[(1R)-2-methylcyclohex-2-en-1-yl]oxysilane
CID 10977200
Tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane
CID 11026310
tert-butyl-[(1R)-cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 11085132
triethyl-[(1S)-2-methylcyclohex-2-en-1-yl]oxysilane
CID 11806389
tert-butyl-dimethyl-[3-[(3S,6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]propoxy]silane
CID 16087493

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane?
The IUPAC name of bromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane (CID 134887088) is bromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane.
What is the SMILES notation for bromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane?
The canonical SMILES for bromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane is CC(C)(C)[Si](C)(C)OC1C=[C-]C(O[Si](C)(C)C)CC1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane?
The InChIKey is VYHLDKOETBAPHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H31O2Si2.BrH.Zn/c1-15(2,3)19(7,8)17-14-11-9-13(10-12-14)16-18(4,5)6;;/h12-14H,9,11H2,1-8H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane?
bromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane has a molecular weight of 444.88 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane is sourced from PubChem (CID 134887088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).