bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane

C20H33BrOSSiZn — CID 135076477

IUPACbromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=[C-]/Sc1ccccc1.[Zn+]Br
InChIInChI=1S/C20H33OSSi.BrH.Zn/c1-16(2)19(21-23(7,8)20(4,5)6)17(3)14-15-22-18-12-10-9-11-13-18;;/h9-14,16-17,19H,1-8H3;1H;/q-1;;+2/p-1/t17-,19+;;/m0../s1
InChIKeyQXLAQPWFDSPIPX-UKWJXJBFSA-M
MW494.93 g/mol
LogP7.62
Rot. Bonds7

About bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane

bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane (PubChem CID 135076477) has the molecular formula C20H33BrOSSiZn and a molecular weight of 494.93 g/mol. Its IUPAC name is bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Namebromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
PubChem CID135076477
Molecular FormulaC20H33BrOSSiZn
Molecular Weight494.93 g/mol
Exact Mass492.05
IUPAC Namebromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=[C-]/Sc1ccccc1.[Zn+]Br
InChIInChI=1S/C20H33OSSi.BrH.Zn/c1-16(2)19(21-23(7,8)20(4,5)6)17(3)14-15-22-18-12-10-9-11-13-18;;/h9-14,16-17,19H,1-8H3;1H;/q-1;;+2/p-1/t17-,19+;;/m0../s1
InChIKeyQXLAQPWFDSPIPX-UKWJXJBFSA-M
XLogP7.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.93
LogP ≤ 57.62
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'}

Analyze bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane with MolForge

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Related Compounds

3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane
CID 10637592
trimethyl-[(Z)-4-methyl-1-phenylsulfanylpent-1-enoxy]silane
CID 10945857
[(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane
CID 10946332
tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane
CID 10990080
tert-butyl-[(Z,3R,4S)-2,4-dimethyl-6-phenyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
CID 11026321
trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane
CID 11068172
tert-butyl-[(Z,3R,4S)-2,4-dimethyl-6-phenylsulfanyldodec-5-en-7-yn-3-yl]oxy-dimethylsilane
CID 11091298
Trimethyl-(2-methylidene-6-phenylsulfanyl-4-trimethylsilyloxyhexyl)silane
CID 11132308
trimethyl-[(Z,3S)-3-methyl-1-phenylsulfanylpent-1-enoxy]silane
CID 11231339
[(1R,2S)-5-(benzenesulfonyl)-2-methylcyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 11660871

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane?
The IUPAC name of bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane (CID 135076477) is bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane is CC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=[C-]/Sc1ccccc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane?
The InChIKey is QXLAQPWFDSPIPX-UKWJXJBFSA-M. The full InChI is InChI=1S/C20H33OSSi.BrH.Zn/c1-16(2)19(21-23(7,8)20(4,5)6)17(3)14-15-22-18-12-10-9-11-13-18;;/h9-14,16-17,19H,1-8H3;1H;/q-1;;+2/p-1/t17-,19+;;/m0../s1.
What are the key properties of bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane?
bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane has a molecular weight of 494.93 g/mol, XLogP of 7.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);tert-butyl-[(3R,4S)-2,4-dimethyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 135076477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).