23-bromotricosyl-dichloro-methylsilane

C24H49BrCl2Si — CID 87680803

IUPAC23-bromotricosyl-dichloro-methylsilane
SMILESC[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C24H49BrCl2Si/c1-28(26,27)24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25/h2-24H2,1H3
InChIKeyZBQXTOIDYLVJDC-UHFFFAOYSA-N
MW516.55 g/mol
LogP11.12
Rot. Bonds23

About 23-bromotricosyl-dichloro-methylsilane

23-bromotricosyl-dichloro-methylsilane (PubChem CID 87680803) has the molecular formula C24H49BrCl2Si and a molecular weight of 516.55 g/mol. Its IUPAC name is 23-bromotricosyl-dichloro-methylsilane.

Molecular Properties

Compound Name23-bromotricosyl-dichloro-methylsilane
PubChem CID87680803
Molecular FormulaC24H49BrCl2Si
Molecular Weight516.55 g/mol
Exact Mass514.22
IUPAC Name23-bromotricosyl-dichloro-methylsilane
SMILESC[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C24H49BrCl2Si/c1-28(26,27)24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25/h2-24H2,1H3
InChIKeyZBQXTOIDYLVJDC-UHFFFAOYSA-N
XLogP11.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.55
LogP ≤ 511.12
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 23-bromotricosyl-dichloro-methylsilane?
The IUPAC name of 23-bromotricosyl-dichloro-methylsilane (CID 87680803) is 23-bromotricosyl-dichloro-methylsilane.
What is the SMILES notation for 23-bromotricosyl-dichloro-methylsilane?
The canonical SMILES for 23-bromotricosyl-dichloro-methylsilane is C[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCBr.
What is the InChIKey of 23-bromotricosyl-dichloro-methylsilane?
The InChIKey is ZBQXTOIDYLVJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49BrCl2Si/c1-28(26,27)24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25/h2-24H2,1H3.
What are the key properties of 23-bromotricosyl-dichloro-methylsilane?
23-bromotricosyl-dichloro-methylsilane has a molecular weight of 516.55 g/mol, XLogP of 11.12, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 23-bromotricosyl-dichloro-methylsilane is sourced from PubChem (CID 87680803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).