CID 169013274

C21H21Si — CID 169013274

IUPAC—
SMILESCc1ccc(CC[Si](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21Si/c1-18-12-14-19(15-13-18)16-17-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15H,16-17H2,1H3
InChIKeyGFAMGYVQGIOTRU-UHFFFAOYSA-N
MW301.49 g/mol
LogP3.85
Rot. Bonds5

About CID 169013274

CID 169013274 (PubChem CID 169013274) has the molecular formula C21H21Si and a molecular weight of 301.49 g/mol.

Molecular Properties

Compound NameCID 169013274
PubChem CID169013274
Molecular FormulaC21H21Si
Molecular Weight301.49 g/mol
Exact Mass301.14
IUPAC Name—
SMILESCc1ccc(CC[Si](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21Si/c1-18-12-14-19(15-13-18)16-17-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15H,16-17H2,1H3
InChIKeyGFAMGYVQGIOTRU-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 169013274?
The IUPAC name of CID 169013274 (CID 169013274) is not available.
What is the SMILES notation for CID 169013274?
The canonical SMILES for CID 169013274 is Cc1ccc(CC[Si](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 169013274?
The InChIKey is GFAMGYVQGIOTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Si/c1-18-12-14-19(15-13-18)16-17-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15H,16-17H2,1H3.
What are the key properties of CID 169013274?
CID 169013274 has a molecular weight of 301.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169013274 is sourced from PubChem (CID 169013274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).