CID 169013259

C21H21Si — CID 169013259

IUPAC—
SMILESCc1ccccc1CC[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21Si/c1-18-10-8-9-11-19(18)16-17-22(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h2-15H,16-17H2,1H3
InChIKeyBIFPVOLTXCHNNM-UHFFFAOYSA-N
MW301.49 g/mol
LogP3.85
Rot. Bonds5

About CID 169013259

CID 169013259 (PubChem CID 169013259) has the molecular formula C21H21Si and a molecular weight of 301.49 g/mol.

Molecular Properties

Compound NameCID 169013259
PubChem CID169013259
Molecular FormulaC21H21Si
Molecular Weight301.49 g/mol
Exact Mass301.14
IUPAC Name—
SMILESCc1ccccc1CC[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21Si/c1-18-10-8-9-11-19(18)16-17-22(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h2-15H,16-17H2,1H3
InChIKeyBIFPVOLTXCHNNM-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 169013259?
The IUPAC name of CID 169013259 (CID 169013259) is not available.
What is the SMILES notation for CID 169013259?
The canonical SMILES for CID 169013259 is Cc1ccccc1CC[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 169013259?
The InChIKey is BIFPVOLTXCHNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Si/c1-18-10-8-9-11-19(18)16-17-22(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h2-15H,16-17H2,1H3.
What are the key properties of CID 169013259?
CID 169013259 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 169013259 is sourced from PubChem (CID 169013259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).