CID 6380343

C22H22ClSi — CID 6380343

IUPAC—
SMILESClc1ccccc1CC[Si](Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H22ClSi/c23-22-14-8-7-13-21(22)15-16-24(17-19-9-3-1-4-10-19)18-20-11-5-2-6-12-20/h1-14H,15-18H2
InChIKeyBHOCGBFJVKPKGE-UHFFFAOYSA-N
MW349.96 g/mol
LogP5.94
Rot. Bonds7

About CID 6380343

CID 6380343 (PubChem CID 6380343) has the molecular formula C22H22ClSi and a molecular weight of 349.96 g/mol.

Molecular Properties

Compound NameCID 6380343
PubChem CID6380343
Molecular FormulaC22H22ClSi
Molecular Weight349.96 g/mol
Exact Mass349.12
IUPAC Name—
SMILESClc1ccccc1CC[Si](Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H22ClSi/c23-22-14-8-7-13-21(22)15-16-24(17-19-9-3-1-4-10-19)18-20-11-5-2-6-12-20/h1-14H,15-18H2
InChIKeyBHOCGBFJVKPKGE-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.96
LogP ≤ 55.94
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 6380343?
The IUPAC name of CID 6380343 (CID 6380343) is not available.
What is the SMILES notation for CID 6380343?
The canonical SMILES for CID 6380343 is Clc1ccccc1CC[Si](Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of CID 6380343?
The InChIKey is BHOCGBFJVKPKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClSi/c23-22-14-8-7-13-21(22)15-16-24(17-19-9-3-1-4-10-19)18-20-11-5-2-6-12-20/h1-14H,15-18H2.
What are the key properties of CID 6380343?
CID 6380343 has a molecular weight of 349.96 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6380343 is sourced from PubChem (CID 6380343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).