CID 123156776

C22H24NO2Si — CID 123156776

IUPAC—
SMILESCn1cc(-c2cc(OCC3CC3)cc([Si](C)C)c2)c2ccccc2c1=O
InChIInChI=1S/C22H24NO2Si/c1-23-13-21(19-6-4-5-7-20(19)22(23)24)16-10-17(25-14-15-8-9-15)12-18(11-16)26(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3
InChIKeyXELLYSHQZWBDBD-UHFFFAOYSA-N
MW362.53 g/mol
LogP3.96
Rot. Bonds5

About CID 123156776

CID 123156776 (PubChem CID 123156776) has the molecular formula C22H24NO2Si and a molecular weight of 362.53 g/mol.

Molecular Properties

Compound NameCID 123156776
PubChem CID123156776
Molecular FormulaC22H24NO2Si
Molecular Weight362.53 g/mol
Exact Mass362.16
IUPAC Name—
SMILESCn1cc(-c2cc(OCC3CC3)cc([Si](C)C)c2)c2ccccc2c1=O
InChIInChI=1S/C22H24NO2Si/c1-23-13-21(19-6-4-5-7-20(19)22(23)24)16-10-17(25-14-15-8-9-15)12-18(11-16)26(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3
InChIKeyXELLYSHQZWBDBD-UHFFFAOYSA-N
XLogP3.96
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.53
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 123156776?
The IUPAC name of CID 123156776 (CID 123156776) is not available.
What is the SMILES notation for CID 123156776?
The canonical SMILES for CID 123156776 is Cn1cc(-c2cc(OCC3CC3)cc([Si](C)C)c2)c2ccccc2c1=O.
What is the InChIKey of CID 123156776?
The InChIKey is XELLYSHQZWBDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NO2Si/c1-23-13-21(19-6-4-5-7-20(19)22(23)24)16-10-17(25-14-15-8-9-15)12-18(11-16)26(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3.
What are the key properties of CID 123156776?
CID 123156776 has a molecular weight of 362.53 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123156776 is sourced from PubChem (CID 123156776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).