bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane

C13H21BrOSi — CID 10709415

IUPACbromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane
SMILESC#CCC(C)(C)CC(C#C)O[Si](C)(C)CBr
InChIInChI=1S/C13H21BrOSi/c1-7-9-13(3,4)10-12(8-2)15-16(5,6)11-14/h1-2,12H,9-11H2,3-6H3
InChIKeyAVXUHJVFQUUYPQ-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.58
Rot. Bonds6

About bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane

bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane (PubChem CID 10709415) has the molecular formula C13H21BrOSi and a molecular weight of 301.30 g/mol. Its IUPAC name is bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane.

Molecular Properties

Compound Namebromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane
PubChem CID10709415
Molecular FormulaC13H21BrOSi
Molecular Weight301.30 g/mol
Exact Mass300.05
IUPAC Namebromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane
SMILESC#CCC(C)(C)CC(C#C)O[Si](C)(C)CBr
InChIInChI=1S/C13H21BrOSi/c1-7-9-13(3,4)10-12(8-2)15-16(5,6)11-14/h1-2,12H,9-11H2,3-6H3
InChIKeyAVXUHJVFQUUYPQ-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.58
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

5,5-Dimethylnon-1-yn-4-yloxy(trimethyl)silane
CID 20288770
5,5-Dimethyloct-1-yn-4-yloxy(trimethyl)silane
CID 20288807
1-(1-But-2-ynylcyclobutyl)prop-2-ynoxy-trimethylsilane
CID 20383883
3-Trimethylsilyloxy-4,4-dimethyl-1-octyne
CID 20442069
Trimethyl-[1-(1-propylcyclobutyl)prop-2-ynoxy]silane
CID 20565090
[4-Bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane
CID 66891629
Tert-butyl {[1-(1-ethylcyclobutyl)prop-2-ynyl]oxy}dimethylsilane
CID 85825701
(1-Bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
CID 87193220
5,5-Dimethylhex-1-yn-3-yloxy(trimethyl)silane
CID 140316243
2,2-Dimethylhept-6-yn-3-yloxy(dimethyl)silane
CID 173128953
1-(1-Ethylcyclobutyl)prop-2-ynoxy-dimethylsilane
CID 173135985
Bromomethyl-dimethyl-(2,2,7,7-tetramethyldeca-3,9-diyn-5-yloxy)silane
CID 10713336

Frequently Asked Questions

What is the IUPAC name of bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane?
The IUPAC name of bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane (CID 10709415) is bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane.
What is the SMILES notation for bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane?
The canonical SMILES for bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane is C#CCC(C)(C)CC(C#C)O[Si](C)(C)CBr.
What is the InChIKey of bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane?
The InChIKey is AVXUHJVFQUUYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrOSi/c1-7-9-13(3,4)10-12(8-2)15-16(5,6)11-14/h1-2,12H,9-11H2,3-6H3.
What are the key properties of bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane?
bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane has a molecular weight of 301.30 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane is sourced from PubChem (CID 10709415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).