CID 86235526

C18H21NSi — CID 86235526

IUPAC—
SMILESc1ccc(CC2CCCCN2[Si]c2ccccc2)cc1
InChIInChI=1S/C18H21NSi/c1-3-9-16(10-4-1)15-17-11-7-8-14-19(17)20-18-12-5-2-6-13-18/h1-6,9-10,12-13,17H,7-8,11,14-15H2
InChIKeyQYEPLIKIQIRWBR-UHFFFAOYSA-N
MW279.46 g/mol
LogP3.03
Rot. Bonds4

About CID 86235526

CID 86235526 (PubChem CID 86235526) has the molecular formula C18H21NSi and a molecular weight of 279.46 g/mol.

Molecular Properties

Compound NameCID 86235526
PubChem CID86235526
Molecular FormulaC18H21NSi
Molecular Weight279.46 g/mol
Exact Mass279.14
IUPAC Name—
SMILESc1ccc(CC2CCCCN2[Si]c2ccccc2)cc1
InChIInChI=1S/C18H21NSi/c1-3-9-16(10-4-1)15-17-11-7-8-14-19(17)20-18-12-5-2-6-13-18/h1-6,9-10,12-13,17H,7-8,11,14-15H2
InChIKeyQYEPLIKIQIRWBR-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 86235526 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 86235526?
The IUPAC name of CID 86235526 (CID 86235526) is not available.
What is the SMILES notation for CID 86235526?
The canonical SMILES for CID 86235526 is c1ccc(CC2CCCCN2[Si]c2ccccc2)cc1.
What is the InChIKey of CID 86235526?
The InChIKey is QYEPLIKIQIRWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NSi/c1-3-9-16(10-4-1)15-17-11-7-8-14-19(17)20-18-12-5-2-6-13-18/h1-6,9-10,12-13,17H,7-8,11,14-15H2.
What are the key properties of CID 86235526?
CID 86235526 has a molecular weight of 279.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86235526 is sourced from PubChem (CID 86235526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).