bromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane

C18H31BrOSi — CID 10714274

IUPACbromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane
SMILESC#CCC(C)(C)CC(C)(C#CC(C)(C)C)O[Si](C)(C)CBr
InChIInChI=1S/C18H31BrOSi/c1-10-11-17(5,6)14-18(7,13-12-16(2,3)4)20-21(8,9)15-19/h1H,11,14-15H2,2-9H3
InChIKeyBAQDJZYOOUTOEA-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.39
Rot. Bonds6

About bromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane

bromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane (PubChem CID 10714274) has the molecular formula C18H31BrOSi and a molecular weight of 371.44 g/mol. Its IUPAC name is bromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane.

Molecular Properties

Compound Namebromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane
PubChem CID10714274
Molecular FormulaC18H31BrOSi
Molecular Weight371.44 g/mol
Exact Mass370.13
IUPAC Namebromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane
SMILESC#CCC(C)(C)CC(C)(C#CC(C)(C)C)O[Si](C)(C)CBr
InChIInChI=1S/C18H31BrOSi/c1-10-11-17(5,6)14-18(7,13-12-16(2,3)4)20-21(8,9)15-19/h1H,11,14-15H2,2-9H3
InChIKeyBAQDJZYOOUTOEA-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.39
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
(1-Bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
CID 87193456
Bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane
CID 10620114
Bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane
CID 10709415
Bromomethyl-dimethyl-(2,2,7,7-tetramethyldeca-3,9-diyn-5-yloxy)silane
CID 10713336
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-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane?
The IUPAC name of bromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane (CID 10714274) is bromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane.
What is the SMILES notation for bromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane?
The canonical SMILES for bromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane is C#CCC(C)(C)CC(C)(C#CC(C)(C)C)O[Si](C)(C)CBr.
What is the InChIKey of bromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane?
The InChIKey is BAQDJZYOOUTOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31BrOSi/c1-10-11-17(5,6)14-18(7,13-12-16(2,3)4)20-21(8,9)15-19/h1H,11,14-15H2,2-9H3.
What are the key properties of bromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane?
bromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane has a molecular weight of 371.44 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-dimethyl-(2,2,5,7,7-pentamethyldeca-3,9-diyn-5-yloxy)silane is sourced from PubChem (CID 10714274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).