CID 85428122

C20H25Si — CID 85428122

IUPAC—
SMILESCCCC=C(CCC)[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25Si/c1-3-5-13-18(12-4-2)21(19-14-8-6-9-15-19)20-16-10-7-11-17-20/h6-11,13-17H,3-5,12H2,1-2H3
InChIKeyWTTYTMDXLDZWGX-UHFFFAOYSA-N
MW293.51 g/mol
LogP4.36
Rot. Bonds7

About CID 85428122

CID 85428122 (PubChem CID 85428122) has the molecular formula C20H25Si and a molecular weight of 293.51 g/mol.

Molecular Properties

Compound NameCID 85428122
PubChem CID85428122
Molecular FormulaC20H25Si
Molecular Weight293.51 g/mol
Exact Mass293.17
IUPAC Name—
SMILESCCCC=C(CCC)[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25Si/c1-3-5-13-18(12-4-2)21(19-14-8-6-9-15-19)20-16-10-7-11-17-20/h6-11,13-17H,3-5,12H2,1-2H3
InChIKeyWTTYTMDXLDZWGX-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 85428122 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 85428122?
The IUPAC name of CID 85428122 (CID 85428122) is not available.
What is the SMILES notation for CID 85428122?
The canonical SMILES for CID 85428122 is CCCC=C(CCC)[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 85428122?
The InChIKey is WTTYTMDXLDZWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Si/c1-3-5-13-18(12-4-2)21(19-14-8-6-9-15-19)20-16-10-7-11-17-20/h6-11,13-17H,3-5,12H2,1-2H3.
What are the key properties of CID 85428122?
CID 85428122 has a molecular weight of 293.51 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 85428122 is sourced from PubChem (CID 85428122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).