bromo-butyl-dihexylsilane

C16H35BrSi — CID 140744866

IUPACbromo-butyl-dihexylsilane
SMILESCCCCCC[Si](Br)(CCCC)CCCCCC
InChIInChI=1S/C16H35BrSi/c1-4-7-10-12-15-18(17,14-9-6-3)16-13-11-8-5-2/h4-16H2,1-3H3
InChIKeyGWTNFQFLMZVUDG-UHFFFAOYSA-N
MW335.45 g/mol
LogP7.29
Rot. Bonds13

About bromo-butyl-dihexylsilane

bromo-butyl-dihexylsilane (PubChem CID 140744866) has the molecular formula C16H35BrSi and a molecular weight of 335.45 g/mol. Its IUPAC name is bromo-butyl-dihexylsilane.

Molecular Properties

Compound Namebromo-butyl-dihexylsilane
PubChem CID140744866
Molecular FormulaC16H35BrSi
Molecular Weight335.45 g/mol
Exact Mass334.17
IUPAC Namebromo-butyl-dihexylsilane
SMILESCCCCCC[Si](Br)(CCCC)CCCCCC
InChIInChI=1S/C16H35BrSi/c1-4-7-10-12-15-18(17,14-9-6-3)16-13-11-8-5-2/h4-16H2,1-3H3
InChIKeyGWTNFQFLMZVUDG-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

dibromo-methyl-octylsilane
CID 20510451
bromo-methyl-dioctylsilane
CID 140745101
bromo-dimethyl-undecylsilane
CID 87338091
butyl-dihexyl-octylsilane
CID 168803297
trifluoro(tridecyl)silane
CID 537319
butyl-dimethyl-undecylsilane
CID 54018421
butyl-heptyl-methyl-octylsilane
CID 168803305
trifluoro(hexadecyl)silane
CID 141473475
dibutyl-heptyl-methylsilane
CID 168803311
bromo-chloro-hexyl-methylsilane
CID 140744885
dibutyl-hexyl-iodosilane
CID 154486871
butyl-hexyl-diiodosilane
CID 140745011

Frequently Asked Questions

What is the IUPAC name of bromo-butyl-dihexylsilane?
The IUPAC name of bromo-butyl-dihexylsilane (CID 140744866) is bromo-butyl-dihexylsilane.
What is the SMILES notation for bromo-butyl-dihexylsilane?
The canonical SMILES for bromo-butyl-dihexylsilane is CCCCCC[Si](Br)(CCCC)CCCCCC.
What is the InChIKey of bromo-butyl-dihexylsilane?
The InChIKey is GWTNFQFLMZVUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35BrSi/c1-4-7-10-12-15-18(17,14-9-6-3)16-13-11-8-5-2/h4-16H2,1-3H3.
What are the key properties of bromo-butyl-dihexylsilane?
bromo-butyl-dihexylsilane has a molecular weight of 335.45 g/mol, XLogP of 7.29, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-butyl-dihexylsilane is sourced from PubChem (CID 140744866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).