dibromo-methyl-octylsilane

C9H20Br2Si — CID 20510451

IUPACdibromo-methyl-octylsilane
SMILESCCCCCCCC[Si](C)(Br)Br
InChIInChI=1S/C9H20Br2Si/c1-3-4-5-6-7-8-9-12(2,10)11/h3-9H2,1-2H3
InChIKeyLYVCABLJZXCQQQ-UHFFFAOYSA-N
MW316.15 g/mol
LogP5.21
Rot. Bonds7

About dibromo-methyl-octylsilane

dibromo-methyl-octylsilane (PubChem CID 20510451) has the molecular formula C9H20Br2Si and a molecular weight of 316.15 g/mol. Its IUPAC name is dibromo-methyl-octylsilane.

Molecular Properties

Compound Namedibromo-methyl-octylsilane
PubChem CID20510451
Molecular FormulaC9H20Br2Si
Molecular Weight316.15 g/mol
Exact Mass313.97
IUPAC Namedibromo-methyl-octylsilane
SMILESCCCCCCCC[Si](C)(Br)Br
InChIInChI=1S/C9H20Br2Si/c1-3-4-5-6-7-8-9-12(2,10)11/h3-9H2,1-2H3
InChIKeyLYVCABLJZXCQQQ-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.15
LogP ≤ 55.21
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-butyl-methylsilane
CID 140744808
bromo-methyl-dioctylsilane
CID 140745101
bromo-dimethyl-undecylsilane
CID 87338091
bromo-chloro-hexyl-methylsilane
CID 140744885
bromo-butyl-dihexylsilane
CID 140744866
decyl-hexadecyl-methyl-octylsilane
CID 14474508
mercury;nonane
CID 174664970
butyl-dimethyl-undecylsilane
CID 54018421
butyl-heptyl-methyl-octylsilane
CID 168803305
dibutyl-heptyl-methylsilane
CID 168803311
dihydroxy-methyl-tetradecylsilane
CID 165358928
ethyl-heptyl-dimethylsilane
CID 90701403

Frequently Asked Questions

What is the IUPAC name of dibromo-methyl-octylsilane?
The IUPAC name of dibromo-methyl-octylsilane (CID 20510451) is dibromo-methyl-octylsilane.
What is the SMILES notation for dibromo-methyl-octylsilane?
The canonical SMILES for dibromo-methyl-octylsilane is CCCCCCCC[Si](C)(Br)Br.
What is the InChIKey of dibromo-methyl-octylsilane?
The InChIKey is LYVCABLJZXCQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20Br2Si/c1-3-4-5-6-7-8-9-12(2,10)11/h3-9H2,1-2H3.
What are the key properties of dibromo-methyl-octylsilane?
dibromo-methyl-octylsilane has a molecular weight of 316.15 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-methyl-octylsilane is sourced from PubChem (CID 20510451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).