CID 68767970

C11H16ClSi — CID 68767970

IUPAC—
SMILESC[Si](C)CCc1cccc(CCl)c1
InChIInChI=1S/C11H16ClSi/c1-13(2)7-6-10-4-3-5-11(8-10)9-12/h3-5,8H,6-7,9H2,1-2H3
InChIKeyZPVMJQRVSHZYNT-UHFFFAOYSA-N
MW211.79 g/mol
LogP3.72
Rot. Bonds4

About CID 68767970

CID 68767970 (PubChem CID 68767970) has the molecular formula C11H16ClSi and a molecular weight of 211.79 g/mol.

Molecular Properties

Compound NameCID 68767970
PubChem CID68767970
Molecular FormulaC11H16ClSi
Molecular Weight211.79 g/mol
Exact Mass211.07
IUPAC Name—
SMILESC[Si](C)CCc1cccc(CCl)c1
InChIInChI=1S/C11H16ClSi/c1-13(2)7-6-10-4-3-5-11(8-10)9-12/h3-5,8H,6-7,9H2,1-2H3
InChIKeyZPVMJQRVSHZYNT-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.79
LogP ≤ 53.72
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'}

Analyze CID 68767970 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 68767970?
The IUPAC name of CID 68767970 (CID 68767970) is not available.
What is the SMILES notation for CID 68767970?
The canonical SMILES for CID 68767970 is C[Si](C)CCc1cccc(CCl)c1.
What is the InChIKey of CID 68767970?
The InChIKey is ZPVMJQRVSHZYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClSi/c1-13(2)7-6-10-4-3-5-11(8-10)9-12/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of CID 68767970?
CID 68767970 has a molecular weight of 211.79 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68767970 is sourced from PubChem (CID 68767970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).