bromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane

C20H35BrOSi — CID 10763460

IUPACbromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane
SMILESC#CCC(C)(C)CC(C#CC(C)(C)C)(O[Si](C)(C)CBr)C(C)C
InChIInChI=1S/C20H35BrOSi/c1-11-12-19(7,8)15-20(17(2)3,14-13-18(4,5)6)22-23(9,10)16-21/h1,17H,12,15-16H2,2-10H3
InChIKeyQLUAOARZKRDBQG-UHFFFAOYSA-N
MW399.49 g/mol
LogP6.03
Rot. Bonds7

About bromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane

bromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane (PubChem CID 10763460) has the molecular formula C20H35BrOSi and a molecular weight of 399.49 g/mol. Its IUPAC name is bromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane.

Molecular Properties

Compound Namebromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane
PubChem CID10763460
Molecular FormulaC20H35BrOSi
Molecular Weight399.49 g/mol
Exact Mass398.16
IUPAC Namebromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane
SMILESC#CCC(C)(C)CC(C#CC(C)(C)C)(O[Si](C)(C)CBr)C(C)C
InChIInChI=1S/C20H35BrOSi/c1-11-12-19(7,8)15-20(17(2)3,14-13-18(4,5)6)22-23(9,10)16-21/h1,17H,12,15-16H2,2-10H3
InChIKeyQLUAOARZKRDBQG-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 56.03
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

Triethyl(4,5,5-trimethyloct-1-yn-4-yloxy)silane
CID 154121335
Bromomethyl-(5-ethyl-2,2,7,7-tetramethyldeca-3,9-diyn-5-yl)oxy-dimethylsilane
CID 10620114
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-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane?
The IUPAC name of bromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane (CID 10763460) is bromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane.
What is the SMILES notation for bromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane?
The canonical SMILES for bromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane is C#CCC(C)(C)CC(C#CC(C)(C)C)(O[Si](C)(C)CBr)C(C)C.
What is the InChIKey of bromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane?
The InChIKey is QLUAOARZKRDBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35BrOSi/c1-11-12-19(7,8)15-20(17(2)3,14-13-18(4,5)6)22-23(9,10)16-21/h1,17H,12,15-16H2,2-10H3.
What are the key properties of bromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane?
bromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane has a molecular weight of 399.49 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-dimethyl-(2,2,7,7-tetramethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxysilane is sourced from PubChem (CID 10763460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).