18-bromooctadecyl-chloro-dimethylsilane

C20H42BrClSi — CID 87683175

IUPAC18-bromooctadecyl-chloro-dimethylsilane
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C20H42BrClSi/c1-23(2,22)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21/h3-20H2,1-2H3
InChIKeyNCJZPCKEASKGHK-UHFFFAOYSA-N
MW426.00 g/mol
LogP9.07
Rot. Bonds18

About 18-bromooctadecyl-chloro-dimethylsilane

18-bromooctadecyl-chloro-dimethylsilane (PubChem CID 87683175) has the molecular formula C20H42BrClSi and a molecular weight of 426.00 g/mol. Its IUPAC name is 18-bromooctadecyl-chloro-dimethylsilane.

Molecular Properties

Compound Name18-bromooctadecyl-chloro-dimethylsilane
PubChem CID87683175
Molecular FormulaC20H42BrClSi
Molecular Weight426.00 g/mol
Exact Mass424.19
IUPAC Name18-bromooctadecyl-chloro-dimethylsilane
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C20H42BrClSi/c1-23(2,22)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21/h3-20H2,1-2H3
InChIKeyNCJZPCKEASKGHK-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.00
LogP ≤ 59.07
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'}

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Frequently Asked Questions

What is the IUPAC name of 18-bromooctadecyl-chloro-dimethylsilane?
The IUPAC name of 18-bromooctadecyl-chloro-dimethylsilane (CID 87683175) is 18-bromooctadecyl-chloro-dimethylsilane.
What is the SMILES notation for 18-bromooctadecyl-chloro-dimethylsilane?
The canonical SMILES for 18-bromooctadecyl-chloro-dimethylsilane is C[Si](C)(Cl)CCCCCCCCCCCCCCCCCCBr.
What is the InChIKey of 18-bromooctadecyl-chloro-dimethylsilane?
The InChIKey is NCJZPCKEASKGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42BrClSi/c1-23(2,22)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21/h3-20H2,1-2H3.
What are the key properties of 18-bromooctadecyl-chloro-dimethylsilane?
18-bromooctadecyl-chloro-dimethylsilane has a molecular weight of 426.00 g/mol, XLogP of 9.07, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 18-bromooctadecyl-chloro-dimethylsilane is sourced from PubChem (CID 87683175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).