chloro-methyl-dinaphthalen-1-ylsilane

C21H17ClSi — CID 140861802

IUPACchloro-methyl-dinaphthalen-1-ylsilane
SMILESC[Si](Cl)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C21H17ClSi/c1-23(22,20-14-6-10-16-8-2-4-12-18(16)20)21-15-7-11-17-9-3-5-13-19(17)21/h2-15H,1H3
InChIKeyHHLQWZFDIAAJSE-UHFFFAOYSA-N
MW332.91 g/mol
LogP4.92
Rot. Bonds2

About chloro-methyl-dinaphthalen-1-ylsilane

chloro-methyl-dinaphthalen-1-ylsilane (PubChem CID 140861802) has the molecular formula C21H17ClSi and a molecular weight of 332.91 g/mol. Its IUPAC name is chloro-methyl-dinaphthalen-1-ylsilane.

Molecular Properties

Compound Namechloro-methyl-dinaphthalen-1-ylsilane
PubChem CID140861802
Molecular FormulaC21H17ClSi
Molecular Weight332.91 g/mol
Exact Mass332.08
IUPAC Namechloro-methyl-dinaphthalen-1-ylsilane
SMILESC[Si](Cl)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C21H17ClSi/c1-23(22,20-14-6-10-16-8-2-4-12-18(16)20)21-15-7-11-17-9-3-5-13-19(17)21/h2-15H,1H3
InChIKeyHHLQWZFDIAAJSE-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.91
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 chloro-methyl-dinaphthalen-1-ylsilane?
The IUPAC name of chloro-methyl-dinaphthalen-1-ylsilane (CID 140861802) is chloro-methyl-dinaphthalen-1-ylsilane.
What is the SMILES notation for chloro-methyl-dinaphthalen-1-ylsilane?
The canonical SMILES for chloro-methyl-dinaphthalen-1-ylsilane is C[Si](Cl)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of chloro-methyl-dinaphthalen-1-ylsilane?
The InChIKey is HHLQWZFDIAAJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClSi/c1-23(22,20-14-6-10-16-8-2-4-12-18(16)20)21-15-7-11-17-9-3-5-13-19(17)21/h2-15H,1H3.
What are the key properties of chloro-methyl-dinaphthalen-1-ylsilane?
chloro-methyl-dinaphthalen-1-ylsilane has a molecular weight of 332.91 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-dinaphthalen-1-ylsilane is sourced from PubChem (CID 140861802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).