CID 168968342

C12H21ClSi — CID 168968342

IUPAC—
SMILESC=C(C)CC(CC(=C)C)[Si]CCCCl
InChIInChI=1S/C12H21ClSi/c1-10(2)8-12(9-11(3)4)14-7-5-6-13/h12H,1,3,5-9H2,2,4H3
InChIKeyFLPJIICBTRGPSN-UHFFFAOYSA-N
MW228.84 g/mol
LogP4.46
Rot. Bonds8

About CID 168968342

CID 168968342 (PubChem CID 168968342) has the molecular formula C12H21ClSi and a molecular weight of 228.84 g/mol.

Molecular Properties

Compound NameCID 168968342
PubChem CID168968342
Molecular FormulaC12H21ClSi
Molecular Weight228.84 g/mol
Exact Mass228.11
IUPAC Name—
SMILESC=C(C)CC(CC(=C)C)[Si]CCCCl
InChIInChI=1S/C12H21ClSi/c1-10(2)8-12(9-11(3)4)14-7-5-6-13/h12H,1,3,5-9H2,2,4H3
InChIKeyFLPJIICBTRGPSN-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.84
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 168968342 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 168968342?
The IUPAC name of CID 168968342 (CID 168968342) is not available.
What is the SMILES notation for CID 168968342?
The canonical SMILES for CID 168968342 is C=C(C)CC(CC(=C)C)[Si]CCCCl.
What is the InChIKey of CID 168968342?
The InChIKey is FLPJIICBTRGPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClSi/c1-10(2)8-12(9-11(3)4)14-7-5-6-13/h12H,1,3,5-9H2,2,4H3.
What are the key properties of CID 168968342?
CID 168968342 has a molecular weight of 228.84 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168968342 is sourced from PubChem (CID 168968342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).