CID 168868904

C16H31Cl2Si — CID 168868904

IUPAC—
SMILESCCCCCCC=CC(C)CCCCCC[Si](Cl)Cl
InChIInChI=1S/C16H31Cl2Si/c1-3-4-5-6-7-10-13-16(2)14-11-8-9-12-15-19(17)18/h10,13,16H,3-9,11-12,14-15H2,1-2H3
InChIKeyCBVJUEWMBFPIQK-UHFFFAOYSA-N
MW322.42 g/mol
LogP7.07
Rot. Bonds13

About CID 168868904

CID 168868904 (PubChem CID 168868904) has the molecular formula C16H31Cl2Si and a molecular weight of 322.42 g/mol.

Molecular Properties

Compound NameCID 168868904
PubChem CID168868904
Molecular FormulaC16H31Cl2Si
Molecular Weight322.42 g/mol
Exact Mass321.16
IUPAC Name—
SMILESCCCCCCC=CC(C)CCCCCC[Si](Cl)Cl
InChIInChI=1S/C16H31Cl2Si/c1-3-4-5-6-7-10-13-16(2)14-11-8-9-12-15-19(17)18/h10,13,16H,3-9,11-12,14-15H2,1-2H3
InChIKeyCBVJUEWMBFPIQK-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.42
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 168868904 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 168868904?
The IUPAC name of CID 168868904 (CID 168868904) is not available.
What is the SMILES notation for CID 168868904?
The canonical SMILES for CID 168868904 is CCCCCCC=CC(C)CCCCCC[Si](Cl)Cl.
What is the InChIKey of CID 168868904?
The InChIKey is CBVJUEWMBFPIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31Cl2Si/c1-3-4-5-6-7-10-13-16(2)14-11-8-9-12-15-19(17)18/h10,13,16H,3-9,11-12,14-15H2,1-2H3.
What are the key properties of CID 168868904?
CID 168868904 has a molecular weight of 322.42 g/mol, XLogP of 7.07, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168868904 is sourced from PubChem (CID 168868904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).