bromo-methyl-dioctylsilane

C17H37BrSi — CID 140745101

IUPACbromo-methyl-dioctylsilane
SMILESCCCCCCCC[Si](C)(Br)CCCCCCCC
InChIInChI=1S/C17H37BrSi/c1-4-6-8-10-12-14-16-19(3,18)17-15-13-11-9-7-5-2/h4-17H2,1-3H3
InChIKeyJLSBMUGKIAIWMO-UHFFFAOYSA-N
MW349.47 g/mol
LogP7.68
Rot. Bonds14

About bromo-methyl-dioctylsilane

bromo-methyl-dioctylsilane (PubChem CID 140745101) has the molecular formula C17H37BrSi and a molecular weight of 349.47 g/mol. Its IUPAC name is bromo-methyl-dioctylsilane.

Molecular Properties

Compound Namebromo-methyl-dioctylsilane
PubChem CID140745101
Molecular FormulaC17H37BrSi
Molecular Weight349.47 g/mol
Exact Mass348.18
IUPAC Namebromo-methyl-dioctylsilane
SMILESCCCCCCCC[Si](C)(Br)CCCCCCCC
InChIInChI=1S/C17H37BrSi/c1-4-6-8-10-12-14-16-19(3,18)17-15-13-11-9-7-5-2/h4-17H2,1-3H3
InChIKeyJLSBMUGKIAIWMO-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 57.68
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-dimethyl-undecylsilane
CID 87338091
bromo-chloro-hexyl-methylsilane
CID 140744885
bromo-butyl-dihexylsilane
CID 140744866
decyl-hexadecyl-methyl-octylsilane
CID 14474508
butyl-heptyl-methyl-octylsilane
CID 168803305
butyl-dimethyl-undecylsilane
CID 54018421
dibutyl-heptyl-methylsilane
CID 168803311
dihydroxy-methyl-tetradecylsilane
CID 165358928
ethyl-heptyl-dimethylsilane
CID 90701403
hydroxy-dimethyl-octadecylsilane
CID 11198256
chloro-dimethyl-nonadecylsilane
CID 87338427

Frequently Asked Questions

What is the IUPAC name of bromo-methyl-dioctylsilane?
The IUPAC name of bromo-methyl-dioctylsilane (CID 140745101) is bromo-methyl-dioctylsilane.
What is the SMILES notation for bromo-methyl-dioctylsilane?
The canonical SMILES for bromo-methyl-dioctylsilane is CCCCCCCC[Si](C)(Br)CCCCCCCC.
What is the InChIKey of bromo-methyl-dioctylsilane?
The InChIKey is JLSBMUGKIAIWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37BrSi/c1-4-6-8-10-12-14-16-19(3,18)17-15-13-11-9-7-5-2/h4-17H2,1-3H3.
What are the key properties of bromo-methyl-dioctylsilane?
bromo-methyl-dioctylsilane has a molecular weight of 349.47 g/mol, XLogP of 7.68, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-methyl-dioctylsilane is sourced from PubChem (CID 140745101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).