CID 20836044

C6H8Cl2NSi — CID 20836044

IUPAC—
SMILESCC(C#N)CCC([Si])(Cl)Cl
InChIInChI=1S/C6H8Cl2NSi/c1-5(4-9)2-3-6(7,8)10/h5H,2-3H2,1H3
InChIKeyURVAXOIKVMTSFM-UHFFFAOYSA-N
MW193.13 g/mol
LogP2.23
Rot. Bonds3

About CID 20836044

CID 20836044 (PubChem CID 20836044) has the molecular formula C6H8Cl2NSi and a molecular weight of 193.13 g/mol.

Molecular Properties

Compound NameCID 20836044
PubChem CID20836044
Molecular FormulaC6H8Cl2NSi
Molecular Weight193.13 g/mol
Exact Mass191.98
IUPAC Name—
SMILESCC(C#N)CCC([Si])(Cl)Cl
InChIInChI=1S/C6H8Cl2NSi/c1-5(4-9)2-3-6(7,8)10/h5H,2-3H2,1H3
InChIKeyURVAXOIKVMTSFM-UHFFFAOYSA-N
XLogP2.23
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 20836044?
The IUPAC name of CID 20836044 (CID 20836044) is not available.
What is the SMILES notation for CID 20836044?
The canonical SMILES for CID 20836044 is CC(C#N)CCC([Si])(Cl)Cl.
What is the InChIKey of CID 20836044?
The InChIKey is URVAXOIKVMTSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2NSi/c1-5(4-9)2-3-6(7,8)10/h5H,2-3H2,1H3.
What are the key properties of CID 20836044?
CID 20836044 has a molecular weight of 193.13 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20836044 is sourced from PubChem (CID 20836044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).