dichloro-ethyl-naphthalen-1-ylsilane

C12H12Cl2Si — CID 90259567

IUPACdichloro-ethyl-naphthalen-1-ylsilane
SMILESCC[Si](Cl)(Cl)c1cccc2ccccc12
InChIInChI=1S/C12H12Cl2Si/c1-2-15(13,14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChIKeyNEYFIKXXNFQWAJ-UHFFFAOYSA-N
MW255.22 g/mol
LogP3.99
Rot. Bonds2

About dichloro-ethyl-naphthalen-1-ylsilane

dichloro-ethyl-naphthalen-1-ylsilane (PubChem CID 90259567) has the molecular formula C12H12Cl2Si and a molecular weight of 255.22 g/mol. Its IUPAC name is dichloro-ethyl-naphthalen-1-ylsilane.

Molecular Properties

Compound Namedichloro-ethyl-naphthalen-1-ylsilane
PubChem CID90259567
Molecular FormulaC12H12Cl2Si
Molecular Weight255.22 g/mol
Exact Mass254.01
IUPAC Namedichloro-ethyl-naphthalen-1-ylsilane
SMILESCC[Si](Cl)(Cl)c1cccc2ccccc12
InChIInChI=1S/C12H12Cl2Si/c1-2-15(13,14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChIKeyNEYFIKXXNFQWAJ-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 53.99
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 dichloro-ethyl-naphthalen-1-ylsilane?
The IUPAC name of dichloro-ethyl-naphthalen-1-ylsilane (CID 90259567) is dichloro-ethyl-naphthalen-1-ylsilane.
What is the SMILES notation for dichloro-ethyl-naphthalen-1-ylsilane?
The canonical SMILES for dichloro-ethyl-naphthalen-1-ylsilane is CC[Si](Cl)(Cl)c1cccc2ccccc12.
What is the InChIKey of dichloro-ethyl-naphthalen-1-ylsilane?
The InChIKey is NEYFIKXXNFQWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2Si/c1-2-15(13,14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3.
What are the key properties of dichloro-ethyl-naphthalen-1-ylsilane?
dichloro-ethyl-naphthalen-1-ylsilane has a molecular weight of 255.22 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-ethyl-naphthalen-1-ylsilane is sourced from PubChem (CID 90259567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).