CID 171516318

C4H9Cl4NSi2 — CID 171516318

IUPAC—
SMILESCCC(C)N([Si]Cl)[Si](Cl)(Cl)Cl
InChIInChI=1S/C4H9Cl4NSi2/c1-3-4(2)9(10-5)11(6,7)8/h4H,3H2,1-2H3
InChIKeyWNYCTPCNIJHYBF-UHFFFAOYSA-N
MW269.11 g/mol
LogP3.01
Rot. Bonds4

About CID 171516318

CID 171516318 (PubChem CID 171516318) has the molecular formula C4H9Cl4NSi2 and a molecular weight of 269.11 g/mol.

Molecular Properties

Compound NameCID 171516318
PubChem CID171516318
Molecular FormulaC4H9Cl4NSi2
Molecular Weight269.11 g/mol
Exact Mass266.90
IUPAC Name—
SMILESCCC(C)N([Si]Cl)[Si](Cl)(Cl)Cl
InChIInChI=1S/C4H9Cl4NSi2/c1-3-4(2)9(10-5)11(6,7)8/h4H,3H2,1-2H3
InChIKeyWNYCTPCNIJHYBF-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.11
LogP ≤ 53.01
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 171516318?
The IUPAC name of CID 171516318 (CID 171516318) is not available.
What is the SMILES notation for CID 171516318?
The canonical SMILES for CID 171516318 is CCC(C)N([Si]Cl)[Si](Cl)(Cl)Cl.
What is the InChIKey of CID 171516318?
The InChIKey is WNYCTPCNIJHYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl4NSi2/c1-3-4(2)9(10-5)11(6,7)8/h4H,3H2,1-2H3.
What are the key properties of CID 171516318?
CID 171516318 has a molecular weight of 269.11 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171516318 is sourced from PubChem (CID 171516318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).