CID 176894865

C9H17Cl2Si — CID 176894865

IUPAC—
SMILESC=CCCC(C)(C)[Si](CCl)CCl
InChIInChI=1S/C9H17Cl2Si/c1-4-5-6-9(2,3)12(7-10)8-11/h4H,1,5-8H2,2-3H3
InChIKeyVELIEWRNTVLTHO-UHFFFAOYSA-N
MW224.23 g/mol
LogP3.78
Rot. Bonds6

About CID 176894865

CID 176894865 (PubChem CID 176894865) has the molecular formula C9H17Cl2Si and a molecular weight of 224.23 g/mol.

Molecular Properties

Compound NameCID 176894865
PubChem CID176894865
Molecular FormulaC9H17Cl2Si
Molecular Weight224.23 g/mol
Exact Mass223.05
IUPAC Name—
SMILESC=CCCC(C)(C)[Si](CCl)CCl
InChIInChI=1S/C9H17Cl2Si/c1-4-5-6-9(2,3)12(7-10)8-11/h4H,1,5-8H2,2-3H3
InChIKeyVELIEWRNTVLTHO-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 176894865 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 176894865?
The IUPAC name of CID 176894865 (CID 176894865) is not available.
What is the SMILES notation for CID 176894865?
The canonical SMILES for CID 176894865 is C=CCCC(C)(C)[Si](CCl)CCl.
What is the InChIKey of CID 176894865?
The InChIKey is VELIEWRNTVLTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl2Si/c1-4-5-6-9(2,3)12(7-10)8-11/h4H,1,5-8H2,2-3H3.
What are the key properties of CID 176894865?
CID 176894865 has a molecular weight of 224.23 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176894865 is sourced from PubChem (CID 176894865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).