20-bromoicosyl-chloro-dimethylsilane

C22H46BrClSi — CID 87683108

IUPAC20-bromoicosyl-chloro-dimethylsilane
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C22H46BrClSi/c1-25(2,24)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23/h3-22H2,1-2H3
InChIKeyNBJWFZOVNVMRPQ-UHFFFAOYSA-N
MW454.05 g/mol
LogP9.85
Rot. Bonds20

About 20-bromoicosyl-chloro-dimethylsilane

20-bromoicosyl-chloro-dimethylsilane (PubChem CID 87683108) has the molecular formula C22H46BrClSi and a molecular weight of 454.05 g/mol. Its IUPAC name is 20-bromoicosyl-chloro-dimethylsilane.

Molecular Properties

Compound Name20-bromoicosyl-chloro-dimethylsilane
PubChem CID87683108
Molecular FormulaC22H46BrClSi
Molecular Weight454.05 g/mol
Exact Mass452.22
IUPAC Name20-bromoicosyl-chloro-dimethylsilane
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C22H46BrClSi/c1-25(2,24)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23/h3-22H2,1-2H3
InChIKeyNBJWFZOVNVMRPQ-UHFFFAOYSA-N
XLogP9.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.05
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'silicon_halogen', 'substructure': 'N/A'}

Analyze 20-bromoicosyl-chloro-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

18-bromooctadecyl-chloro-dimethylsilane
CID 87683175
14-bromotetradecyl-dichloro-methylsilane
CID 87684527
9-bromononyl-dichloro-methylsilane
CID 87683387
chloro-(24-chlorotetracosyl)-dimethylsilane
CID 87683150
chloro-dimethyl-nonadecylsilane
CID 87338427
27-[chloro(dimethyl)silyl]heptacosan-1-ol
CID 87680833
33-[chloro(dimethyl)silyl]tritriacontane-1-thiol
CID 87683373
28-[chloro(dimethyl)silyl]octacosan-1-ol
CID 87685229
29-[chloro(dimethyl)silyl]nonacosan-1-ol
CID 87682143
32-[chloro(dimethyl)silyl]dotriacontan-1-ol
CID 87684424
22-[chloro(dimethyl)silyl]docosan-1-ol
CID 87686032
chloro-(7-iodoheptyl)-dimethylsilane
CID 87683859

Frequently Asked Questions

What is the IUPAC name of 20-bromoicosyl-chloro-dimethylsilane?
The IUPAC name of 20-bromoicosyl-chloro-dimethylsilane (CID 87683108) is 20-bromoicosyl-chloro-dimethylsilane.
What is the SMILES notation for 20-bromoicosyl-chloro-dimethylsilane?
The canonical SMILES for 20-bromoicosyl-chloro-dimethylsilane is C[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCBr.
What is the InChIKey of 20-bromoicosyl-chloro-dimethylsilane?
The InChIKey is NBJWFZOVNVMRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46BrClSi/c1-25(2,24)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23/h3-22H2,1-2H3.
What are the key properties of 20-bromoicosyl-chloro-dimethylsilane?
20-bromoicosyl-chloro-dimethylsilane has a molecular weight of 454.05 g/mol, XLogP of 9.85, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 20-bromoicosyl-chloro-dimethylsilane is sourced from PubChem (CID 87683108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).