bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane

C18H31BrOSi — CID 11793582

IUPACbromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane
SMILESC#CCCCC(C#CC(C)(C)C)(O[Si](C)(C)CBr)C(C)C
InChIInChI=1S/C18H31BrOSi/c1-9-10-11-12-18(16(2)3,14-13-17(4,5)6)20-21(7,8)15-19/h1,16H,10-12,15H2,2-8H3
InChIKeyXUTWXWOQOHXITJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.39
Rot. Bonds7

About bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane

bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane (PubChem CID 11793582) has the molecular formula C18H31BrOSi and a molecular weight of 371.44 g/mol. Its IUPAC name is bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane.

Molecular Properties

Compound Namebromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane
PubChem CID11793582
Molecular FormulaC18H31BrOSi
Molecular Weight371.44 g/mol
Exact Mass370.13
IUPAC Namebromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane
SMILESC#CCCCC(C#CC(C)(C)C)(O[Si](C)(C)CBr)C(C)C
InChIInChI=1S/C18H31BrOSi/c1-9-10-11-12-18(16(2)3,14-13-17(4,5)6)20-21(7,8)15-19/h1,16H,10-12,15H2,2-8H3
InChIKeyXUTWXWOQOHXITJ-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
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-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane
CID 10760066

Frequently Asked Questions

What is the IUPAC name of bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane?
The IUPAC name of bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane (CID 11793582) is bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane.
What is the SMILES notation for bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane?
The canonical SMILES for bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane is C#CCCCC(C#CC(C)(C)C)(O[Si](C)(C)CBr)C(C)C.
What is the InChIKey of bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane?
The InChIKey is XUTWXWOQOHXITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31BrOSi/c1-9-10-11-12-18(16(2)3,14-13-17(4,5)6)20-21(7,8)15-19/h1,16H,10-12,15H2,2-8H3.
What are the key properties of bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane?
bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane has a molecular weight of 371.44 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane is sourced from PubChem (CID 11793582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).