CID 154617775

C3H7Cl5NSi2 — CID 154617775

IUPAC
SMILESCCCN([Si](Cl)Cl)[Si](Cl)(Cl)Cl
InChIInChI=1S/C3H7Cl5NSi2/c1-2-3-9(10(4)5)11(6,7)8/h2-3H2,1H3
InChIKeyKQDGSVAWJNVTKU-UHFFFAOYSA-N
MW290.53 g/mol
LogP3.31
Rot. Bonds4

About CID 154617775

CID 154617775 (PubChem CID 154617775) has the molecular formula C3H7Cl5NSi2 and a molecular weight of 290.53 g/mol.

Molecular Properties

Compound NameCID 154617775
PubChem CID154617775
Molecular FormulaC3H7Cl5NSi2
Molecular Weight290.53 g/mol
Exact Mass287.86
IUPAC Name
SMILESCCCN([Si](Cl)Cl)[Si](Cl)(Cl)Cl
InChIInChI=1S/C3H7Cl5NSi2/c1-2-3-9(10(4)5)11(6,7)8/h2-3H2,1H3
InChIKeyKQDGSVAWJNVTKU-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.53
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 CID 154617775?
The IUPAC name of CID 154617775 (CID 154617775) is not available.
What is the SMILES notation for CID 154617775?
The canonical SMILES for CID 154617775 is CCCN([Si](Cl)Cl)[Si](Cl)(Cl)Cl.
What is the InChIKey of CID 154617775?
The InChIKey is KQDGSVAWJNVTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl5NSi2/c1-2-3-9(10(4)5)11(6,7)8/h2-3H2,1H3.
What are the key properties of CID 154617775?
CID 154617775 has a molecular weight of 290.53 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154617775 is sourced from PubChem (CID 154617775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).