CID 172557414

C17H16ClFeSi — CID 172557414

IUPAC—
SMILESCl[Si](C[c-]1cccc1)c1ccccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C12H11ClSi.C5H5.Fe/c13-14(10-11-6-4-5-7-11)12-8-2-1-3-9-12;1-2-4-5-3-1;/h1-9H,10H2;1-5H;/q2*-1;+2
InChIKeyDRTBJVUBLIQUSI-UHFFFAOYSA-N
MW339.70 g/mol
LogP4.03
Rot. Bonds3

About CID 172557414

CID 172557414 (PubChem CID 172557414) has the molecular formula C17H16ClFeSi and a molecular weight of 339.70 g/mol.

Molecular Properties

Compound NameCID 172557414
PubChem CID172557414
Molecular FormulaC17H16ClFeSi
Molecular Weight339.70 g/mol
Exact Mass339.01
IUPAC Name—
SMILESCl[Si](C[c-]1cccc1)c1ccccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C12H11ClSi.C5H5.Fe/c13-14(10-11-6-4-5-7-11)12-8-2-1-3-9-12;1-2-4-5-3-1;/h1-9H,10H2;1-5H;/q2*-1;+2
InChIKeyDRTBJVUBLIQUSI-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 172557414?
The IUPAC name of CID 172557414 (CID 172557414) is not available.
What is the SMILES notation for CID 172557414?
The canonical SMILES for CID 172557414 is Cl[Si](C[c-]1cccc1)c1ccccc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of CID 172557414?
The InChIKey is DRTBJVUBLIQUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClSi.C5H5.Fe/c13-14(10-11-6-4-5-7-11)12-8-2-1-3-9-12;1-2-4-5-3-1;/h1-9H,10H2;1-5H;/q2*-1;+2.
What are the key properties of CID 172557414?
CID 172557414 has a molecular weight of 339.70 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172557414 is sourced from PubChem (CID 172557414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).