CID 175020259

C12H9Si — CID 175020259

IUPAC—
SMILESC=C([Si])c1ccc2ccccc2c1
InChIInChI=1S/C12H9Si/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H2
InChIKeyNEQXHXIKASRPHS-UHFFFAOYSA-N
MW181.29 g/mol
LogP2.98
Rot. Bonds1

About CID 175020259

CID 175020259 (PubChem CID 175020259) has the molecular formula C12H9Si and a molecular weight of 181.29 g/mol.

Molecular Properties

Compound NameCID 175020259
PubChem CID175020259
Molecular FormulaC12H9Si
Molecular Weight181.29 g/mol
Exact Mass181.05
IUPAC Name—
SMILESC=C([Si])c1ccc2ccccc2c1
InChIInChI=1S/C12H9Si/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H2
InChIKeyNEQXHXIKASRPHS-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 159583464
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Frequently Asked Questions

What is the IUPAC name of CID 175020259?
The IUPAC name of CID 175020259 (CID 175020259) is not available.
What is the SMILES notation for CID 175020259?
The canonical SMILES for CID 175020259 is C=C([Si])c1ccc2ccccc2c1.
What is the InChIKey of CID 175020259?
The InChIKey is NEQXHXIKASRPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Si/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H2.
What are the key properties of CID 175020259?
CID 175020259 has a molecular weight of 181.29 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175020259 is sourced from PubChem (CID 175020259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).