CID 22216223

C21H21O2Si — CID 22216223

IUPAC—
SMILESCOc1ccc(C)cc1CO[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21O2Si/c1-17-13-14-21(22-2)18(15-17)16-23-24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15H,16H2,1-2H3
InChIKeyHFSZMDBXFMUUKD-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.33
Rot. Bonds6

About CID 22216223

CID 22216223 (PubChem CID 22216223) has the molecular formula C21H21O2Si and a molecular weight of 333.48 g/mol.

Molecular Properties

Compound NameCID 22216223
PubChem CID22216223
Molecular FormulaC21H21O2Si
Molecular Weight333.48 g/mol
Exact Mass333.13
IUPAC Name—
SMILESCOc1ccc(C)cc1CO[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21O2Si/c1-17-13-14-21(22-2)18(15-17)16-23-24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15H,16H2,1-2H3
InChIKeyHFSZMDBXFMUUKD-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 22216223?
The IUPAC name of CID 22216223 (CID 22216223) is not available.
What is the SMILES notation for CID 22216223?
The canonical SMILES for CID 22216223 is COc1ccc(C)cc1CO[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 22216223?
The InChIKey is HFSZMDBXFMUUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O2Si/c1-17-13-14-21(22-2)18(15-17)16-23-24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15H,16H2,1-2H3.
What are the key properties of CID 22216223?
CID 22216223 has a molecular weight of 333.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22216223 is sourced from PubChem (CID 22216223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).