bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane

C16H29BrSiZn — CID 10385984

IUPACbromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane
SMILESC=CCCCC(=C=[C-][Si](C)(C)C)CC(C)(C)C.[Zn+]Br
InChIInChI=1S/C16H29Si.BrH.Zn/c1-8-9-10-11-15(14-16(2,3)4)12-13-17(5,6)7;;/h8H,1,9-11,14H2,2-7H3;1H;/q-1;;+2/p-1
InChIKeyNESSERJJPMJOEC-UHFFFAOYSA-M
MW394.79 g/mol
LogP6.38
Rot. Bonds6

About bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane

bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane (PubChem CID 10385984) has the molecular formula C16H29BrSiZn and a molecular weight of 394.79 g/mol. Its IUPAC name is bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane.

Molecular Properties

Compound Namebromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane
PubChem CID10385984
Molecular FormulaC16H29BrSiZn
Molecular Weight394.79 g/mol
Exact Mass392.05
IUPAC Namebromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane
SMILESC=CCCCC(=C=[C-][Si](C)(C)C)CC(C)(C)C.[Zn+]Br
InChIInChI=1S/C16H29Si.BrH.Zn/c1-8-9-10-11-15(14-16(2,3)4)12-13-17(5,6)7;;/h8H,1,9-11,14H2,2-7H3;1H;/q-1;;+2/p-1
InChIKeyNESSERJJPMJOEC-UHFFFAOYSA-M
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.79
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane with MolForge

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Related Compounds

2-But-3-en-2-yloct-1-enyl(trimethyl)silane;chlorozinc(1+)
CID 135008031
[(E)-2-but-3-en-2-yloct-1-enyl]-trimethylsilane
CID 13180811
2,2-Dimethyloct-7-enyl(trimethyl)silane
CID 60105446
2-But-3-en-2-yloct-1-enyl(trimethyl)silane
CID 73167229
Tert-butyl-dimethyl-(2,2,6,6-tetramethyl-3-methylideneheptan-4-yl)silane
CID 123797471
11,11-Dimethyldodec-1-enyl(dimethyl)silane
CID 154498333
[(E)-11,11-dimethyldodec-1-enyl]-dimethylsilane
CID 173598225
3-(2,2-Dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane
CID 10385985
[(Z)-2-but-3-en-2-yloct-1-enyl]-trimethylsilane
CID 13180812
Bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane
CID 15967530

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane?
The IUPAC name of bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane (CID 10385984) is bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane.
What is the SMILES notation for bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane?
The canonical SMILES for bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane is C=CCCCC(=C=[C-][Si](C)(C)C)CC(C)(C)C.[Zn+]Br.
What is the InChIKey of bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane?
The InChIKey is NESSERJJPMJOEC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H29Si.BrH.Zn/c1-8-9-10-11-15(14-16(2,3)4)12-13-17(5,6)7;;/h8H,1,9-11,14H2,2-7H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane?
bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane has a molecular weight of 394.79 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane is sourced from PubChem (CID 10385984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).