bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane

C19H33BrOSi — CID 10620114

IUPACbromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane
SMILESC#CCC(C)(C)CC(C#CC(C)(C)C)(CC)O[Si](C)(C)CBr
InChIInChI=1S/C19H33BrOSi/c1-10-12-18(6,7)15-19(11-2,14-13-17(3,4)5)21-22(8,9)16-20/h1H,11-12,15-16H2,2-9H3
InChIKeyLLFCXRDALILWKK-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.78
Rot. Bonds7

About bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane

bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane (PubChem CID 10620114) has the molecular formula C19H33BrOSi and a molecular weight of 385.46 g/mol. Its IUPAC name is bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane.

Molecular Properties

Compound Namebromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane
PubChem CID10620114
Molecular FormulaC19H33BrOSi
Molecular Weight385.46 g/mol
Exact Mass384.15
IUPAC Namebromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane
SMILESC#CCC(C)(C)CC(C#CC(C)(C)C)(CC)O[Si](C)(C)CBr
InChIInChI=1S/C19H33BrOSi/c1-10-12-18(6,7)15-19(11-2,14-13-17(3,4)5)21-22(8,9)16-20/h1H,11-12,15-16H2,2-9H3
InChIKeyLLFCXRDALILWKK-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.78
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Bromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane
CID 10763460
Triethyl(4-ethyloct-1-yn-4-yloxy)silane
CID 54243911
(1-Bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
CID 87193456
Triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane
CID 154121335
Bromomethyl-dimethyl-(2,2,7,7-tetramethyldeca-3,9-diyn-5-yloxy)silane
CID 10713336
Bromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane
CID 10714274
Bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane
CID 11793582

Frequently Asked Questions

What is the IUPAC name of bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane?
The IUPAC name of bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane (CID 10620114) is bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane.
What is the SMILES notation for bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane?
The canonical SMILES for bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane is C#CCC(C)(C)CC(C#CC(C)(C)C)(CC)O[Si](C)(C)CBr.
What is the InChIKey of bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane?
The InChIKey is LLFCXRDALILWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33BrOSi/c1-10-12-18(6,7)15-19(11-2,14-13-17(3,4)5)21-22(8,9)16-20/h1H,11-12,15-16H2,2-9H3.
What are the key properties of bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane?
bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane has a molecular weight of 385.46 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane is sourced from PubChem (CID 10620114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).