CID 175240876

C15H16ClOSi — CID 175240876

IUPAC—
SMILESCc1ccccc1[Si](OCCCl)c1ccccc1
InChIInChI=1S/C15H16ClOSi/c1-13-7-5-6-10-15(13)18(17-12-11-16)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyKECCZVZORSOYNS-UHFFFAOYSA-N
MW275.83 g/mol
LogP2.36
Rot. Bonds5

About CID 175240876

CID 175240876 (PubChem CID 175240876) has the molecular formula C15H16ClOSi and a molecular weight of 275.83 g/mol.

Molecular Properties

Compound NameCID 175240876
PubChem CID175240876
Molecular FormulaC15H16ClOSi
Molecular Weight275.83 g/mol
Exact Mass275.07
IUPAC Name—
SMILESCc1ccccc1[Si](OCCCl)c1ccccc1
InChIInChI=1S/C15H16ClOSi/c1-13-7-5-6-10-15(13)18(17-12-11-16)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyKECCZVZORSOYNS-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.83
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 175240876 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 175240876?
The IUPAC name of CID 175240876 (CID 175240876) is not available.
What is the SMILES notation for CID 175240876?
The canonical SMILES for CID 175240876 is Cc1ccccc1[Si](OCCCl)c1ccccc1.
What is the InChIKey of CID 175240876?
The InChIKey is KECCZVZORSOYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClOSi/c1-13-7-5-6-10-15(13)18(17-12-11-16)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3.
What are the key properties of CID 175240876?
CID 175240876 has a molecular weight of 275.83 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175240876 is sourced from PubChem (CID 175240876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).