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

C15H27BrO3SiZn — CID 10094118

IUPACbromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane
SMILESC=CCCCC(=C=[C-][Si](C)(C)C)OCOCCOC.[Zn+]Br
InChIInChI=1S/C15H27O3Si.BrH.Zn/c1-6-7-8-9-15(10-13-19(3,4)5)18-14-17-12-11-16-2;;/h6H,1,7-9,11-12,14H2,2-5H3;1H;/q-1;;+2/p-1
InChIKeyFRJMZVJREULIAC-UHFFFAOYSA-M
MW428.76 g/mol
LogP4.54
Rot. Bonds11

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

bromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane (PubChem CID 10094118) has the molecular formula C15H27BrO3SiZn and a molecular weight of 428.76 g/mol. Its IUPAC name is bromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane.

Molecular Properties

Compound Namebromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane
PubChem CID10094118
Molecular FormulaC15H27BrO3SiZn
Molecular Weight428.76 g/mol
Exact Mass426.02
IUPAC Namebromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane
SMILESC=CCCCC(=C=[C-][Si](C)(C)C)OCOCCOC.[Zn+]Br
InChIInChI=1S/C15H27O3Si.BrH.Zn/c1-6-7-8-9-15(10-13-19(3,4)5)18-14-17-12-11-16-2;;/h6H,1,7-9,11-12,14H2,2-5H3;1H;/q-1;;+2/p-1
InChIKeyFRJMZVJREULIAC-UHFFFAOYSA-M
XLogP4.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.76
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[5-(2-Methoxyethoxymethoxy)-1-methylene-pentyl]-trimethyl-silane
CID 357854
8,13,13-Trimethyl-12-methylene-2,5,7-trioxa-13-silatetradecane
CID 365965
3-(2-Methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane
CID 10094119
Bromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane
CID 15966494
tert-butyl-[(2R)-2-(methoxymethoxy)hex-5-enoxy]-dimethylsilane
CID 57413193

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane?
The IUPAC name of bromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane (CID 10094118) is bromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane.
What is the SMILES notation for bromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane?
The canonical SMILES for bromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane is C=CCCCC(=C=[C-][Si](C)(C)C)OCOCCOC.[Zn+]Br.
What is the InChIKey of bromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane?
The InChIKey is FRJMZVJREULIAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H27O3Si.BrH.Zn/c1-6-7-8-9-15(10-13-19(3,4)5)18-14-17-12-11-16-2;;/h6H,1,7-9,11-12,14H2,2-5H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane?
bromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane has a molecular weight of 428.76 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);3-(2-methoxyethoxymethoxy)octa-1,2,7-trienyl-trimethylsilane is sourced from PubChem (CID 10094118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).